|
Ethnobotanical Leaflets 12: 954-94. 2008.
Prediction of Anti-Hiv Activity of Flavanoid Constituents Through PASS
M. Maridass1, G. Raju2, K. Thangavel3 and S. Ghanthikumar4
1Animal Health Research Unit, St.Xavier’s College (Autonomous), Palayamkottai-627002
2Dept. of Advanced Zoology and Biotechnology, PioneerKumaraswamy College, Nagercoil, 629 002
3Dept. of Biotechnology, Sri Paramakalyani College, Alwarkurichi, Thirunelveli – 627 412
4Centre for Biodiversity and Biotechnology,St. Xavier’s College (Autonomous), Palayamkottai-02, Tamil Nadu, India
E-mail: [email protected]
Issued 08 November 2008
ABSTRACT
Prediction of Activity Spectra for Substances (PASS), a new computer program, has been generated to evaluate the biological activity of four major flavanoids from a medicinal herb, Boesenbergia pandurata Holtt. (Zingiberaceae). Principal anti-HIV and other biological activities of pinostrobin, pinocembrin, cardamonin and alpinetin were predicted through PASS, their similarity and difference in the mechanisms of action with reference to accessory biological activities have been compared (Tables 1-4) and verified with the available data (http://195.178.207.233/PASS/socket1.php.) on pharmacological and toxicological activity of these compounds.
KEY WORDS: Anti-HIV Drugs, Flavanoids, Boesenbergia pandurata, Pinostrobin, Pinocembrin, Cardamonin, Alpinetin.
INTRODUCTION
Acquired immunodeficiency syndrome (AIDS) has evolved rapidly into an epidemic and world-wide health crisis. The number of people infected with HIV rose to just over 40 million in 2006, an increase of over 2 million since 2004 (WHO/UNAIDS (2006). More than 60% of infected people live in sub-Saharan Africa, where at least 2 million deaths from HIV/AIDS occurred in 2006. Novel therapeutic strategies are urgently needed for deployment alongside conventional antiretroviral drugs, vaccines, and microbicides to prevent the spread of the disease.
Many attempts have been carried out to discover compounds as anti-HIV-1 agents and enzyme inhibitors of the HIV-1. However, the effective agents for treatment of this disease are still in demand since HIV-1 is resistant to some synthetic anti-HIV-1 PR inhibitors (Borman et al., 1996). HIV-1 PR hydrolyzes viral polyproteins into functional enzymes and structural proteins that are essential for viral assembly (Kohl et al., 1988). Therefore, HIV-1 PR is considered to be an important target for development of anti-HIV-1 drugs.
A number plants have exhibited a potent anti HIV-1 effect and their valid utilization for the formulation of such drugs have been reported during recent past and several active plant based secondary metabolites have been recognized. Most of them able to act specifically on enzymatic targets. Different parts of twelve Thai medicinal plants - Zingiber zerumbet (rhizome), Boesenburgia pandurata (rhizome), Piper chaba (fruit), Eclipta prostrate (whole plant), Barleria lupulina (leaf, stem), Acanthus ilicifolius (leaf and stem), Alpinia galangal (rhizome), Piper betel (leaf), Spilanthes acmella (whole plant), and Coccinia grandis (leaf) have been reported to have a potent HIV-1 PR inhibitory activities (Tewtrakul et al., 2003). Moreover, Tewtrakul et al., (2003) reported that four major flavoniods (pinostrobin, pinocembrin, cardamonin and alpinetin) isolated from the ethanol extract of Boesenbergia pandurata (yellow rhizome) to show inhibitory activity against HIV-1 protease (HIV-PR).
Recently, Computer Aided Drug Design (CADD) is widely used in new drug R & D (Franke and Herrmann, 1994). Such a newly developed computerized system - PASS (Prediction of Activity Spectra for Substance) that estimates simultaneously the probability of more than 100 pharmacological activity, effects and mechanisms (Filimonov et al., 1995, Filimonov and Poroikov (1996). Therefore, the present study was designed towards the Prediction of Activity Spectra for four flavoniod constituents viz; pinostrobin, pinocembrin, cardamonin and alpinetin. A specific server has been generated which predicts the possibility of a drug to be active against a target based on the physico-chemical methods using comparisons and several algorithms. It is observed that the approach, used in PASS, may be applied to other biological activities (Filimonov et al.,1995; Filimonov et al.,1996).
MATERIALS AND METHODS
PASS 4.20 prediction search includes 9314 biologically active substances. PASS 4.20 predicts the probabilities of presence/absence for 114 biological actions simultaneously (main and side pharmacological effects, mechanisms, specific toxicity). The biological activity spectrum of PASS was designed and prediction was made with the comparison from the source data available in http://195.178.207.233/PASS/predict.php. Biological activity spectrum of a compound presents exhibit its activity despite the difference in essential conditions of its experimental determination.
RESULTS AND DISCUSSION
Four flavonoids constituents like pinostrobin, pinocembrin, cardamonin and alpinetin were predicted. PASS predicted search results shows that the available information on the pharmacological and toxicological activity of these compounds and are corroborative with the previous reports (Tewtrakul et al., 2003). The results showed that pinocembrin could possess several biological activities including anti-HIV(throughtheserver) http://195.178.207.233/PASS/socket1.php, (Table-1). More interestingly, this compound showed antineoplastic, antiseborrheic, and activity against membrane permeability inhibitor. Next active constituent of the plant extract i.e., alpinetine was predicted with such a similar multitude activity through the same server - http://195.178.207.233/PASS/socket1.php (Table.2). Pinostrobin was predicted with numerous biological activities principally with anti-HIV (Table.3) and other accessory activities like membrane integrity agonist, phosphatase inhibitor, free radical scavenger, apoptosis agonist, cell adhesion inhibitor, testosterone 17beta-dehydrogenase inhibitor and antineurotoxic activity (http://195.178.207.233/PASS/socket1.php). The extended PASS prediction strategy was revealed with an interesting data yield regarding the biological activities of cardamonin like antiseborrheic and arminative, etc., (Table.4) other than the anti-HIV effects (http://195.178.207.233/PASS/socket1.php.). After having a biological activity prediction, a comparative analysis was made regarding the individual mechanism of action of these four active flavanoids of this plant extract. Controversially, four active flavanoids have shown much variability despite their similarity in their inhibitory activities (Tables 1-4). This difference may be due to the diversity among the target sites and the reciprocal activity of the specific drug towards such diversified targets and their differential physiological conditions too.
CONCLUSION
All the four flavanoids observed to have a multi potentials as hepatoprotectant, antipruritic, allergic, anti-inflammatory, neuroprotector other than their principal anti-HIV activity.
While planning experiments and choosing the activities on which the compound has to be tested, it is necessary to keep in mind the balance between the novelty of pharmacological action and the risk to obtain negative result in experimental testing. Certainly, in this present study, such a vital approach has been made to take into account the particular interest in some kinds of activities other than the principal anti- HIV activity of the four flavanoids from this plant extract. The accuracy of biological activity prediction through PASS with reference to four flavanoid constituents is about 90%. Moreover, a thorough study regarding the legend, mode of action of the drugs with reference to the specific targets, their differential physiological conditions need to be mooted up to arrive with a final design of life saving drugs of this kind.
ACKNOWLEDGEMENT
Authors are thankful to the Principal, St. Xavier's College, Palayamkottai for providing basic laboratory facilities.
REFERENCES
Borman, A.M., Paulous, S., and Clavel, F. (1996). Resistance of human immunodeficiency type 1 protease inhibitors: Selection of resistance mutations in the presence and absence of the drug. J. Gen. Virol., 77: 419-426.
Filimonov, D. A., and Poroikov, V.V.(1996). PASS: Computerized prediction of biological activity spectra for chemical substances. In: Bioactive Compound Design: Possibilities for Industrial Use, Oxford: BIOS Scientific Publishers, 47-56.
Filimonov, D.A, Poroikov, V.V, Boudunova, A.P, Rudnitskih, A.V, and Burov.V. (1995). Computerized Prediction of Antiamnestic Activity for Chemical Compounds: PASS Possibilities Extending. Abstr. SCI Conference “Design of Bioactive Compounds”, 4-7 September, Potsdam, Germany, p.26.
Filimonov, D.A., Poroikov, V.V., Karaicheva ,E.I., Kazaryan, R.K., Boudunova, A.P., Mikhailovsky, E.M., Rudnitskih, A.V., Goncharenko, L.V., Burov, and Yu,V. (1995) Computer-aided prediction of biological activity spectra of chemical substances on the basis of their structural formulae: computerized system PASS. Experimental and Clinical Pharmacology (Rus), 8(2): 56-62.
Filimonov, D.A., Trapkov, V.A., Boudunova, A.P., Burova, O.A., and Poroikov, V.V. (1996). Discovery of New Chemical Entry with Antiulcer Activity by Using Computer Aided Prediction. Abstr. XIVth International Symposium on Medicinal Chemistry, Maastricht, the Netherlands, P-1.12.
Franke, R., and Herrmann, E.C.(1994). Eds. // Computer Aided Drug Design in Industrial Research Berlin: Springer-Verlag, - 252 pp.
Jaipetch, T., Kanghae, S., Pancharoen, O., Patrick, V.A., Reutrakul, V., Tuntiwachwuttikul, P., and White, A.H. (1982). Constituents of Boesenbergia pandurata. Aust. J. Chem., 35: 351-361.
Orosalan, S. (1989). Biosynthesis and proteolytic processing of retroviral proteins: an overview. Current communications in molecular biologyviral protienases as targets for chemotherapy. pp.87-100. Cold Spring Harbor laboratory press, New York.
Tewtrakul, S., Itharat, A. and Rattanasuwan, P. (2006). Anti-HIV-1 protease- and HIV-1 integrase activities of Thai medicinal plants known as Hua-Khao-Yen. Journal of Ethnopharmacology 105 312–315.
Tewtrakul, S., Subhadhirasakul, S., and Kummee, S.(2003). HIV-1 protease inhibitory effects of medicinal plants used as self medication by AIDS patients Songklanakarin J. Sci. Technol., 25(2) : 239-243.
Tewtrakul, S., Subhadhirasakul, S., Puripattanavong, J., and Panphadung, T.(2003). HIV-1 protease inhibitory substances from the rhizomes of Boesenbergia pandurata Holtt. Songklanakarin J. Sci. Technol., 25(4) : 503-508.
WHO/UNAIDS, (2006). AIDS Epidemic Update: Special Report on HIV/AIDS, December 2006 (UN/WHO, Geneva).
|
Table-1: Biological Activity Spectrum Of Anti HIV constituent - Pinocembrin
|
|
28 Substructure descriptors; 0 new. 9
Possible activities at Pa > 70% Pa Pi for Activity: 0,901 0,005 Antineoplastic (brain cancer)
0,900 0,013 Antiseborrheic
0,764 0,007 Membrane permeability inhibitor
0,754 0,009 2,6-Dihydroxypyridine 3-monooxygenase inhibitor
0,802 0,061 Membrane integrity agonist
0,751 0,021 Pulmonary hypertension treatment
0,736 0,007 Nerve growth factor agonist
0,716 0,010 Neurotrophic factor enhancer
0,736 0,035 Cardiovascular analeptic
|
|
EFFECTS
0,802 0,007 Antiviral
0,802 0,007 Antiviral (HIV)
0,802 0,061 Membrane integrity agonist
0,764 0,007 Membrane permeability inhibitor
0,802 0,061 Membrane integrity agonist
0,764 0,007 Antitoxic
0,764 0,007 Hepatoprotectant
0,764 0,007 Membrane permeability inhibitor
0,802 0,007 Antipruritic
0,764 0,007 Antipruritic, allergic
0,764 0,007 Membrane permeability inhibitor
0,802 0,061 Membrane integrity agonist
0,802 0,007 Antiinflammatory
0,802 0,061 Membrane integrity agonist
0,764 0,007 Membrane permeability inhibitor
0,764 0,007 Neuroprotector
0,764 0,007 Membrane permeability inhibitor
0,736 0,007 Nerve growth factor agonist
0,736 0,007 Antiparkinsonian
0,736 0,007 Nerve growth factor agonist
0,736 0,035 Analeptic
0,736 0,035 Cardiovascular analeptic
0,736 0,007 Cognition disorders treatment
0,736 0,007 Alzheimer's disease treatment
0,736 0,007 Nerve growth factor agonist
0,716 0,010 Neurotrophic factor enhancer
0,736 0,007 Nerve growth factor agonist
0,716 0,010 Neurotrophic factor enhancer
0,900 0,013 Dermatologic
0,802 0,061 Antieczematic
0,802 0,061 Membrane integrity agonist
0,900 0,013 Antiseborrheic
0,802 0,061 Membrane integrity agonist
0,764 0,007 Hemostatic
0,764 0,007 Membrane permeability inhibitor
0,802 0,007 Psychotropic
0,736 0,007 Nootropic
0,736 0,007 Nerve growth factor agonist
0,802 0,061 Antiepileptic
0,802 0,061 Membrane integrity agonist
0,764 0,007 Vasoprotector
0,764 0,007 Membrane permeability inhibitor
0,736 0,007 Antiischemic, cerebral
0,736 0,007 Nerve growth factor agonist
0,736 0,007 Amyotrophic lateral sclerosis treatment
0,736 0,007 Nerve growth factor agonist
0,764 0,007 Septic shock treatment
0,764 0,007 Membrane permeability inhibitor
0,901 0,005 Antineoplastic (brain cancer)
0,751 0,021 Pulmonary hypertension treatment
|
|
MECHANISMS
0,764 0,007 Membrane permeability inhibitor
0,754 0,009 2,6-Dihydroxypyridine 3-monooxygenase inhibitor
0,802 0,061 Membrane integrity agonist
0,900 0,013 Antiseborrheic
0,736 0,007 Nerve growth factor agonist
0,716 0,010 Neurotrophic factor enhancer
0,736 0,035 Cardiovascular analeptic
|
|
Table-2: Biological Activity Spectrum Of Anti HIV constituent - Alpinetine
|
|
22 Substructure descriptors; 0 new. 19 Possible activities at Pa > 70% Pa Pi for Activity:
0,935 0,007 Membrane integrity agonist
0,858 0,024 Mucomembranous protector
0,821 0,011 Antineurotoxic
0,811 0,004 NAD(P)H dehydrogenase (quinone) inhibitor
0,802 0,004 Capillary fragility treatment
0,799 0,013 Membrane integrity antagonist
0,761 0,005 Cytochrome P450 inhibitor
0,761 0,006 Free radical scavenger
0,762 0,011 Apoptosis agonist
0,747 0,003 Testosterone 17beta-dehydrogenase inhibitor
0,745 0,006 Cell adhesion inhibitor
0,736 0,001 Leucoanthocyanidin reductase inhibitor
0,742 0,007 CYP2A11 substrate
0,732 0,003 Naringenin-chalcone synthase inhibitor
0,745 0,016 Pectate lyase inhibitor
0,712 0,007 Scytalone dehydratase inhibitor
0,704 0,004 Iodide peroxidase inhibitor
0,761 0,061 Phosphatase inhibitor
0,702 0,015 Carbonyl reductase (NADPH) inhibitor
|
|
EFFECTS
0,935 0,007 Antiviral
0,935 0,007 Antiviral (HIV)
0,935 0,007 Membrane integrity agonist
0,935 0,007 Membrane integrity agonist
0,799 0,013 Membrane integrity antagonist
0,799 0,013 Antiprotozoal
0,799 0,013 Membrane integrity antagonist
0,821 0,006 Antitoxic
0,821 0,011 Antineurotoxic
0,761 0,006 Hepatoprotectant
0,761 0,006 Free radical scavenger
0,935 0,005 Antipruritic
0,761 0,006 Antieczematic atopic
0,761 0,006 Free radical scavenger
0,761 0,005 Antipruritic, allergic
0,761 0,006 Free radical scavenger
0,761 0,005 Cytochrome P450 inhibitor
0,935 0,007 Membrane integrity agonist
0,761 0,061 Antidiabetic
0,761 0,061 Phosphatase inhibitor
0,935 0,006 Antiinflammatory
0,935 0,007 Membrane integrity agonist
0,761 0,006 Free radical scavenger
0,799 0,013 Antineoplastic
0,799 0,013 Membrane integrity antagonist
0,761 0,061 Phosphatase inhibitor
0,761 0,006 Neuroprotector
0,761 0,006 Free radical scavenger
0,799 0,013 Anesthetic
0,799 0,013 Membrane integrity antagonist
0,799 0,013 Antifungal
0,799 0,013 Membrane integrity antagonist
0,935 0,006 Antiischemic
0,761 0,006 Antiischemic, cerebral
0,761 0,006 Free radical scavenger
0,935 0,007 Antiischemic renal
0,935 0,007 Membrane integrity agonist
0,761 0,006 Free radical scavenger
0,935 0,006 Dermatologic
0,761 0,006 Antipsoriatic
0,761 0,006 Free radical scavenger
0,935 0,006 Antieczematic
0,935 0,007 Membrane integrity agonist
0,761 0,006 Free radical scavenger
0,935 0,007 Antiseborrheic
0,935 0,007 Membrane integrity agonist
0,935 0,006 Psychotropic
0,761 0,006 Nootropic
0,761 0,006 Alzheimer's disease treatment
0,761 0,006 Free radical scavenger
0,761 0,006 Free radical scavenger
0,935 0,007 Antiepileptic
0,935 0,007 Membrane integrity agonist
0,799 0,013 Antibiotic
0,799 0,013 Membrane integrity antagonist
0,799 0,013 Antiarrhythmic
0,799 0,013 Membrane integrity antagonist
0,761 0,005 Prostate cancer treatment
0,761 0,005 Cytochrome P450 inhibitor
0,858 0,024 Antiulcerative
0,858 0,024 Mucomembranous protector
0,799 0,013 Contraceptive female
0,799 0,013 Membrane integrity antagonist
0,762 0,011 Apoptosis agonist
0,745 0,006 Cell adhesion inhibitor
0,802 0,004 Capillary fragility treatment
|
|
MECHANISMS
0,935 0,007 Membrane integrity agonist
0,858 0,024 Mucomembranous protector
0,811 0,004 NAD(P)H dehydrogenase (quinone) inhibitor
0,799 0,013 Membrane integrity antagonist
0,761 0,005 Cytochrome P450 inhibitor
0,761 0,006 Free radical scavenger
0,747 0,003 Testosterone 17beta-dehydrogenase inhibitor
0,745 0,006 Cell adhesion inhibitor
0,736 0,001 Leucoanthocyanidin reductase inhibitor
0,742 0,007 CYP2A11 substrate
0,732 0,003 Naringenin-chalcone synthase inhibitor
0,745 0,016 Pectate lyase inhibitor
0,712 0,007 Scytalone dehydratase inhibitor
0,704 0,004 Iodide peroxidase inhibitor
0,761 0,061 Phosphatase inhibitor
0,702 0,015 Carbonyl reductase (NADPH) inhibitor
|
|
Table-3: Biological Activity Spectrum Of Anti HIV constituent - Pinostrobin
|
|
32 Substructure descriptors; 0 new. 237 Possible activities at Pa > 30% Pa Pi for Activity: 0,939 0,007 Membrane integrity agonist
0,857 0,020 Phosphatase inhibitor
0,793 0,005 Free radical scavenger
0,770 0,010 Apoptosis agonist
0,752 0,006 Cell adhesion inhibitor
0,745 0,003 Testosterone 17beta-dehydrogenase inhibitor
0,758 0,020 Antineurotoxic
0,771 0,048 Mucomembranous protector
0,727 0,006 Cytochrome P450 inhibitor
0,717 0,004 Naringenin-chalcone synthase inhibitor
0,732 0,019 Pectate lyase inhibitor
0,725 0,023 Membrane integrity antagonist
0,710 0,007 Naringenin 3-dioxygenase inhibitor
0,703 0,006 Antioxidant 0,698 0,016 L-ascorbate oxidase inhibitor
0,685 0,004 Iodide peroxidase inhibitor
0,685 0,005 Capillary fragility treatment
0,693 0,014 Membrane permeability inhibitor
0,683 0,006 NAD(P)H dehydrogenase (quinone) inhibitor
0,670 0,001 Leucoanthocyanidin reductase inhibitor
0,656 0,014 P-benzoquinone reductase (NADPH) inhibitor
0,640 0,005 Creatine kinase inhibitor
0,653 0,026 Carbonyl reductase (NADPH) inhibitor
0,694 0,083 Myocardial ischemia treatment
0,613 0,005 Chemopreventive
0,610 0,006 Phenylalanine ammonia-lyase inhibitor
0,614 0,012 CYP1A substrate
0,630 0,033 Neurotrophic factor enhancer
0,583 0,011 Caffeate O-methyltransferase inhibitor
0,589 0,029 Emetic
0,620 0,064 Nerve growth factor agonist
0,570 0,018 Aryl-alcohol dehydrogenase (NADP+) inhibitor
0,612 0,069 NAD(P)+-arginine ADP-ribosyltransferase inhibitor
0,546 0,004 Antihemorrhagic
0,575 0,040 1-Alkylglycerophosphocholine O-acetyltransferase inhibitor
0,591 0,072 Fibrinolytic
0,537 0,023 CYP2A11 substrate
0,663 0,153 Antiseborrheic
0,556 0,046 CYP2A3 substrate
0,562 0,060 Antidyskinetic
0,523 0,021 Beta-carotene 15,15'-monooxygenase inhibitor
0,522 0,022 Antiviral (Herpes)
0,535 0,036 Histamine release stimulant
0,532 0,034 CDK2/cyclin A inhibitor
0,536 0,041 Antiinflammatory
0,509 0,015 Lipid peroxidase inhibitor
0,533 0,042 NADPH-ferrihemoprotein reductase inhibitor
0,504 0,015 CYP1A1 substrate
0,529 0,046 Cytochrome P450 CYP2C9 inhibitor
0,497 0,023 5 Lipoxygenase inhibitor
0,508 0,035 Dihydroxy-acid dehydratase inhibitor
0,474 0,002 Cytochrome P450 CYP3A4 inhibitor
0,482 0,010 Glutathione-disulfide reductase inhibitor
0,558 0,096 Oxidoreductase inhibitor
0,503 0,040 Kinase inhibitor
0,485 0,025 Hepatoprotectant
0,495 0,038 Carminative
0,507 0,058 Antineoplastic
0,543 0,094 Hydroxylamine reductase (NADH) inhibitor
0,468 0,030 CYP1A2 substrate
0,466 0,031 Hemostatic
0,465 0,033 Scytalone dehydratase inhibitor
0,444 0,013 Osteoarthritis treatment
0,508 0,082 Trans-cinnamate 4-monooxygenase inhibitor
0,469 0,044 Nephrotoxic
0,448 0,023 Reductant
0,464 0,043 CYP2C11 substrate
0,488 0,068 Nitrite reductase [NAD(P)H] inhibitor
0,498 0,080 Steroid N-acetylglucosaminyltransferase inhibitor
0,592 0,178 Cardioprotectant
0,430 0,023 Sweetener
0,434 0,031 Hepatic disorders treatment
0,446 0,049 Polarisation stimulant
0,495 0,100 CYP3A2 substrate
0,399 0,007 Histidine decarboxylase inhibitor
0,425 0,034 Xenobiotic-transporting ATPase inhibitor
0,449 0,059 Histamine release inhibitor
0,394 0,005 CYP1B substrate
0,401 0,013 Epoxide hydrolase inhibitor
0,482 0,096 Trans-pentaprenyltranstransferase inhibitor
0,416 0,031 Plastoquinol-plastocyanin reductase inhibitor
0,517 0,138 CYP3A1 substrate
0,410 0,036 Protein-tyrosine kinase (PTK, not ETK, WZC) inhibitor
0,395 0,029 Antidiabetic symptomatic
0,370 0,005 CYP1B1 substrate
0,423 0,058 Vitamin-K-epoxide reductase (warfarin-insensitive) inhibitor
0,379 0,017 Dihydrobenzophenanthridine oxidase inhibitor
0,412 0,051 Analeptic
0,409 0,049 Trypanothione-disulfide reductase inhibitor
0,369 0,013 Quercetin 2,3-dioxygenase inhibitor
0,440 0,084 CYP2B5 substrate
0,437 0,082 Bilirubin oxidase inhibitor
0,361 0,010 Expectorant
0,379 0,029 Flavone apiosyltransferase inhibitor
0,446 0,095 Toxic
0,375 0,028 2-Enoate reductase inhibitor
0,476 0,129 Cardiovascular analeptic
0,378 0,031 Narcotic
0,373 0,028 Myc inhibitor
0,517 0,172 Ecdysone 20-monooxygenase inhibitor
0,438 0,097 Gonadotropin antagonist
0,356 0,016 (S)-canadine synthase inhibitor
0,389 0,051 Cytostatic
0,365 0,027 Imidazoline I1 receptor agonist
0,387 0,050 L-lysine 6-transaminase inhibitor
0,436 0,099 Membrane permeability enhancer
0,377 0,042 Antidote
0,382 0,050 CYP2C6 substrate
0,381 0,050 DNA ligase (ATP) inhibitor
0,380 0,053 Asparagine-tRNA ligase inhibitor
0,442 0,115 Indole-3-acetaldehyde oxidase inhibitor
0,401 0,074 Cholestanetriol 26-monooxygenase inhibitor
0,382 0,060 Antifungal
0,432 0,111 4-Methoxybenzoate monooxygenase (O-demethylating) inhibitor
0,376 0,060 Antiulcerative
0,419 0,107 Antipruritic
0,400 0,088 Psychosexual dysfunction treatment
0,426 0,114 CYP2A2 substrate
0,318 0,009 Mucolytic
0,333 0,025 Salutaridinol 7-O-acetyltransferase inhibitor
0,439 0,132 Leukotriene C antagonist
0,406 0,100 2,6-Dihydroxypyridine 3-monooxygenase inhibitor
0,371 0,067 Phenol 2-monooxygenase inhibitor
0,402 0,098 CYP2B11 substrate
0,412 0,109 Immunosuppressant
0,371 0,071 CYP2A5 substrate
0,331 0,030 Indoleamine-pyrrole 2,3-dioxygenase inhibitor
0,375 0,075 CYP2F1 substrate
0,374 0,074 Inositol 4-methyltransferase inhibitor
0,398 0,099 Nitrate reductase inhibitor
0,371 0,073 Thiamine-triphosphatase inhibitor
0,313 0,014 Tubulin antagonist
0,312 0,015 Glycerol dehydrogenase (NADP+) inhibitor
0,440 0,147 Adenylate cyclase stimulant
0,302 0,013 2-Dehydropantolactone reductase (A-specific) inhibitor
0,326 0,038 Deoxyribonuclease I inhibitor
0,314 0,026 CYP2A10 substrate
0,430 0,144 Proteasome endopeptidase complex inhibitor
0,322 0,035 3-Demethylubiquinone-9 3-O-methyltransferase inhibitor
0,352 0,066 Respiratory analeptic
0,389 0,104 Antipsoriatic
0,399 0,113 Hypothermic
0,368 0,089 Carcinogenic, male rats
0,327 0,049 RNA synthesis inhibitor
0,301 0,026 Lipoxygenase inhibitor
0,495 0,223 Hematotoxic
0,332 0,069 Interferon antagonist
0,321 0,060 Contraceptive
0,319 0,058 Bronchodilator
0,308 0,048 Imidazoline receptor agonist
0,315 0,056 Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase inhibitor
0,315 0,058 Contraceptive female
0,331 0,074 Phloroglucinol reductase inhibitor
0,387 0,131 L-glucuronate reductase inhibitor
0,326 0,071 Fumarate reductase (NADH) inhibitor
0,380 0,127 Alcohol oxidase inhibitor
0,330 0,083 Antineoplastic (multiple myeloma)
0,394 0,147 Thromboxane B2 antagonist
0,352 0,106 CYP3A4 substrate
0,304 0,061 Tetrahydroxynaphthalene reductase inhibitor
0,390 0,147 Antialcoholic
0,388 0,149 Antitoxic
0,306 0,067 Biphenyl-2,3-diol 1,2-dioxygenase inhibitor
0,304 0,069 Antiosteoporotic
0,398 0,163 Neurotrophic factor
0,350 0,117 Miotic
0,426 0,194 Peroxidase inhibitor
0,390 0,158 Antipruritic, allergic
0,375 0,145 Teratogen
0,319 0,091 Anorexiant
0,382 0,155 Glucan 1,4-beta-glucosidase inhibitor
0,395 0,171 Cyclooxygenase 1 inhibitor
0,303 0,079 AMP deaminase inhibitor
0,359 0,137 Prostaglandin antagonist
0,361 0,140 Chemoprotective
0,312 0,094 Hypertensive
0,326 0,108 CYP3A substrate
0,340 0,122 Gentisate 1,2-dioxygenase inhibitor
0,410 0,195 Tumour necrosis factor alpha antagonist
0,394 0,179 Cathepsin G inhibitor
0,384 0,172 Lactaldehyde reductase inhibitor
0,392 0,181 Quinoprotein glucose dehydrogenase inhibitor
0,366 0,158 Interferon agonist
0,319 0,118 Anthranilate 3-monooxygenase (deaminating) inhibitor
0,349 0,150 Dermatologic
0,342 0,145 Pulmonary hypertension treatment
0,377 0,182 Magnesium-protoporphyrin IX monomethyl ester (oxidative) cyclase inhibitor
0,341 0,152 H+-transporting two-sector ATPase inhibitor
0,399 0,213 CYP2D16 substrate
0,355 0,171 Pyruvate decarboxylase inhibitor
0,361 0,179 Antihelmintic (Nematodes)
0,391 0,218 CYP2A1 substrate
0,310 0,142 Antileukemic
0,306 0,139 Monoamine uptake inhibitor
0,386 0,221 Lipid metabolism regulator
0,366 0,203 Penicillin amidase inhibitor
0,321 0,162 Octopamine antagonist
0,337 0,178 Antineoplastic (solid tumors)
0,316 0,161 Glutaminase inhibitor
0,329 0,177 Glycerol-3-phosphate dehydrogenase inhibitor
0,351 0,202 Antineoplastic (brain cancer)
0,313 0,166 CYP2C8 substrate
0,327 0,180 Atherosclerosis treatment
0,326 0,183 L-iditol 2-dehydrogenase inhibitor
0,314 0,175 Microtubule formation stimulant
0,311 0,177 CYP2B6 substrate
0,308 0,212 Myosin ATPase inhibitor
0,333 0,243 ATPase inhibitor
0,311 0,222 Antiinflammatory, ophthalmic
0,360 0,277 Uroporphyrinogen-III synthase inhibitor
0,323 0,243 Dependence treatment
0,302 0,225 Ovulation inhibitor
0,319 0,245 Platelet adhesion inhibitor
0,337 0,264 Vasodilator, cerebral
0,340 0,268 Leukotriene C4 antagonist
0,311 0,240 CC chemokine 2 receptor antagonist
0,301 0,230 Laccase inhibitor
0,306 0,236 Vomilenine glucosyltransferase inhibitor
0,362 0,296 Antihypoxic
0,349 0,287 Cystic fibrosis treatment
0,321 0,263 Membrane dipeptidase inhibitor
0,316 0,259 Lysase inhibitor
0,329 0,289 2-Oxoglutarate decarboxylase inhibitor
0,335 0,301 Glyceryl-ether monooxygenase inhibitor
0,343 0,311 NADPH oxidase inhibitor
0,350 0,324 Cardiotoxic
0,324 0,301 3-Hydroxybenzoate 4-monooxygenase inhibitor
0,322 0,299 Monodehydroascorbate reductase (NADH) inhibitor
0,335 0,316 Insulysin inhibitor
0,321 0,304 Integrin antagonist
0,301 0,291 Gingipain K inhibitor
0,302 0,300 [acyl-carrier-protein] S-acetyltransferase inhibitor
0,327 0,328 General pump inhibitor
0,305 0,312 2,3-Dihydroxybenzoate 2,3-dioxygenase inhibitor
0,303 0,319 Convulsant
0,309 0,328 N-carbamoyl-L-amino-acid hydrolase inhibitor
0,313 0,332 Chitinase inhibitor
|
|
EFFECTS
0,939 0,007 Antiviral
0,522 0,022 Antiviral (Herpes)
0,367 0,158 Antiviral (Hepatitis)
0,367 0,158 Interferon agonist
0,939 0,007 Antiviral (HIV)
0,939 0,007 Membrane integrity agonist
0,701 0,014 Membrane permeability inhibitor
0,939 0,007 Membrane integrity agonist
0,727 0,023 Membrane integrity antagonist
0,438 0,099 Membrane permeability enhancer
0,367 0,158 Interferon agonist
0,332 0,049 RNA synthesis inhibitor
0,727 0,023 Antiprotozoal
0,727 0,023 Membrane integrity antagonist
0,438 0,099 Membrane permeability enhancer
0,564 0,010 Antitussive
0,564 0,010 Expectorant
0,727 0,023 Antibacterial
0,727 0,023 Antibiotic
0,727 0,023 Membrane integrity antagonist
0,438 0,099 Membrane permeability enhancer
0,438 0,099 Antimycobacterial
0,438 0,099 Membrane permeability enhancer
0,438 0,099 Membrane permeability enhancer
0,797 0,005 Antitoxic
0,758 0,020 Antineurotoxic
0,797 0,005 Hepatoprotectant
0,485 0,025 Liver fibrosis treatment
0,797 0,005 Hepatoprotectant
0,797 0,005 Free radical scavenger
0,701 0,014 Membrane permeability inhibitor
0,939 0,005 Antipruritic
0,684 0,026 Allergic conjunctivitis treatment
0,684 0,026 Lipoxygenase inhibitor
0,939 0,005 Antipruritic
0,646 0,107 Antiacne
0,939 0,005 Antipruritic
0,797 0,005 Antieczematic atopic
0,797 0,005 Free radical scavenger
0,939 0,005 Antipruritic
0,507 0,109 Immunosuppressant
0,797 0,005 Antipruritic, allergic
0,797 0,005 Free radical scavenger
0,728 0,006 Cytochrome P450 inhibitor
0,701 0,014 Membrane permeability inhibitor
0,523 0,023 5 Lipoxygenase inhibitor
0,507 0,109 Immunosuppressant
0,400 0,007 Histidine decarboxylase inhibitor
0,646 0,107 Antipruritic, non-allergic
0,939 0,005 Antipruritic
0,939 0,007 Membrane integrity agonist
0,386 0,221 Hypolipemic
0,386 0,221 Lipid metabolism regulator
0,857 0,020 Antidiabetic
0,395 0,029 Antidiabetic symptomatic
0,857 0,020 Phosphatase inhibitor
0,727 0,023 Cardiotonic
0,727 0,023 Antiarrhythmic
0,727 0,023 Membrane integrity antagonist
0,440 0,027 Heart failure treatment
0,440 0,147 Adenylate cyclase stimulant
0,365 0,027 Imidazoline I1 receptor agonist
0,440 0,147 Adenylate cyclase stimulant
0,939 0,005 Antiinflammatory
0,311 0,222 Antiinflammatory, ophthalmic
0,939 0,007 Membrane integrity agonist
0,797 0,005 Free radical scavenger
0,701 0,014 Membrane permeability inhibitor
0,684 0,026 Lipoxygenase inhibitor
0,523 0,023 5 Lipoxygenase inhibitor
0,507 0,109 Immunosuppressant
0,410 0,195 Tumour necrosis factor alpha antagonist
0,394 0,179 Cathepsin G inhibitor
0,363 0,137 Prostaglandin antagonist
0,321 0,304 Integrin antagonist
0,523 0,023 Autoimmune disorders treatment
0,523 0,023 Rheumatoid arthritis treatment
0,523 0,023 5 Lipoxygenase inhibitor
0,410 0,195 Tumour necrosis factor alpha antagonist
0,507 0,109 Systemic lupus erythematosus treatment
0,507 0,109 Immunosuppressant
0,507 0,109 Multiple sclerosis treatment
0,507 0,109 Immunosuppressant
0,367 0,158 Interferon agonist
0,327 0,328 Radioprotector
0,327 0,328 General pump inhibitor
0,857 0,014 Antineoplastic
0,315 0,014 Antileukemic
0,315 0,014 Tubulin antagonist
0,351 0,202 Antineoplastic (brain cancer)
0,315 0,014 Antineoplastic (breast cancer)
0,315 0,014 Tubulin antagonist
0,315 0,014 Antineoplastic (colorectal cancer)
0,315 0,014 Tubulin antagonist
0,315 0,014 Antineoplastic (lung cancer)
0,315 0,014 Tubulin antagonist
0,330 0,083 Antineoplastic (multiple myeloma)
0,337 0,178 Antineoplastic (solid tumors)
0,857 0,020 Phosphatase inhibitor
0,727 0,023 Membrane integrity antagonist
0,503 0,040 Kinase inhibitor
0,373 0,028 Myc inhibitor
0,367 0,158 Interferon agonist
0,332 0,049 RNA synthesis inhibitor
0,321 0,304 Integrin antagonist
0,315 0,014 Tubulin antagonist
0,314 0,175 Microtubule formation stimulant
0,797 0,005 Neuroprotector
0,797 0,005 Free radical scavenger
0,701 0,014 Membrane permmeability inhibitor
0,620 0,064 Nerve growth factor agonist
0,575 0,015 Lipid peroxidase inhibitor
0,438 0,099 Membrane permeability enhancer
0,440 0,099 Ophthalmic drug
0,440 0,099 Antiglaucomic
0,440 0,147 Adenylate cyclase stimulant
0,438 0,099 Membrane permeability enhancer
0,727 0,023 Anesthetic
0,727 0,023 Membrane integrity antagonist
0,620 0,040 Antiparkinsonian
0,620 0,064 Nerve growth factor agonist
0,503 0,040 Kinase inhibitor
0,438 0,099 Prostate disorders treatment
0,438 0,099 Membrane permeability enhancer
0,495 0,044 Toxic
0,350 0,324 Cardiotoxic
0,495 0,223 Hematotoxic
0,469 0,044 Nephrotoxic
0,449 0,059 Analgesic
0,449 0,059 Analgesic, non-opioid
0,449 0,059 Histamine release inhibitor
0,394 0,147 Thromboxane B2 antagonist
0,363 0,137 Prostaglandin antagonist
0,365 0,027 Antihypertensive
0,365 0,027 Imidazoline I1 receptor agonist
0,438 0,099 Antiparasitic
0,438 0,099 Membrane permeability enhancer
0,476 0,051 Analeptic
0,476 0,129 Cardiovascular analeptic
0,352 0,066 Respiratory analeptic
0,449 0,007 Antiallergic
0,449 0,059 Antiallergic rhinitis
0,449 0,059 Histamine release inhibitor
0,449 0,059 Histamine release inhibitor
0,439 0,132 Leukotriene C antagonist
0,400 0,007 Histidine decarboxylase inhibitor
0,727 0,023 Antifungal
0,727 0,023 Membrane integrity antagonist
0,503 0,040 Kinase inhibitor
0,438 0,099 Membrane permeability enhancer
0,367 0,158 Antiinfective
0,367 0,158 Interferon agonist
0,939 0,005 Antiischemic
0,797 0,005 Antiischemic, cerebral
0,797 0,005 Free radical scavenger
0,620 0,064 Nerve growth factor agonist
0,575 0,015 Lipid peroxidase inhibitor
0,438 0,099 Membrane permeability enhancer
0,337 0,264 Vasodilator, cerebral
0,939 0,007 Antiischemic renal
0,939 0,007 Membrane integrity agonist
0,694 0,083 Myocardial ischemia treatment
0,440 0,147 Adenylate cyclase stimulant
0,797 0,005 Free radical scavenger
0,311 0,240 Antineurogenic pain
0,311 0,240 CC chemokine 2 receptor antagonist
0,797 0,005 Antioxidant
0,703 0,006 Acute neurologic disorders treatment
0,797 0,005 Antioxidant
0,575 0,015 Lipid peroxidase inhibitor
0,797 0,005 Alzheimer's disease treatment
0,797 0,005 Free radical scavenger
0,797 0,005 Antioxidant
0,630 0,033 Neurotrophic factor enhancer
0,620 0,064 Nerve growth factor agonist
0,398 0,163 Neurotrophic factor
0,395 0,171 Cyclooxygenase 1 inhibitor
0,703 0,006 Amyotrophic lateral sclerosis treatment
0,797 0,005 Antioxidant
0,620 0,064 Nerve growth factor agonist
0,398 0,163 Neurotrophic factor
0,575 0,015 Lipid peroxidase inhibitor
0,368 0,089 Carcinogenic
0,368 0,089 Carcinogenic, male rats
0,630 0,033 Cognition disorders treatment
0,630 0,033 Neurotrophic factor enhancer
0,620 0,064 Nerve growth factor agonist
0,398 0,163 Neurotrophic factor
0,939 0,005 Dermatologic
0,797 0,005 Antipsoriatic
0,797 0,005 Free radical scavenger
0,523 0,023 5 Lipoxygenase inhibitor
0,939 0,005 Antieczematic
0,939 0,007 Membrane integrity agonist
0,797 0,005 Free radical scavenger
0,507 0,109 Immunosuppressant
0,939 0,007 Antiseborrheic
0,939 0,007 Membrane integrity agonist
0,701 0,014 Hemostatic
0,466 0,031 Antihemophilic
0,701 0,014 Hemostatic
0,701 0,014 Membrane permeability inhibitor
0,939 0,005 Psychotropic
0,797 0,005 Nootropic
0,797 0,005 Free radical scavenger
0,640 0,005 Creatine kinase inhibitor
0,620 0,064 Nerve growth factor agonist
0,438 0,099 Membrane permeability enhancer
0,939 0,007 Antiepileptic
0,939 0,007 Membrane integrity agonist
0,701 0,014 Vasoprotector
0,701 0,014 Membrane permeability inhibitor
0,684 0,023 Antiasthmatic
0,684 0,026 Lipoxygenase inhibitor
0,523 0,023 5 Lipoxygenase inhibitor
0,449 0,059 Histamine release inhibitor
0,439 0,132 Leukotriene C antagonist
0,410 0,195 Tumour necrosis factor alpha antagonist
0,340 0,268 Leukotriene C4 antagonist
0,321 0,304 Integrin antagonist
0,684 0,023 Antiarthritic
0,684 0,026 Lipoxygenase inhibitor
0,523 0,023 5 Lipoxygenase inhibitor
0,507 0,109 Immunosuppressant
0,311 0,240 CC chemokine 2 receptor antagonist
0,728 0,006 Prostate cancer treatment
0,728 0,006 Cytochrome P450 inhibitor
0,523 0,023 Inflammatory Bowel disease treatment
0,523 0,023 5 Lipoxygenase inhibitor
0,507 0,109 Immunosuppressant
0,367 0,158 Interferon agonist
0,321 0,304 Integrin antagonist
0,438 0,099 Antiemetic
0,438 0,099 Membrane permeability enhancer
0,333 0,069 Antiosteoporotic
0,333 0,243 ATPase inhibitor
0,321 0,304 Integrin antagonist
0,684 0,026 Antithrombotic
0,684 0,026 Lipoxygenase inhibitor
0,440 0,147 Adenylate cyclase stimulant
0,394 0,147 Thromboxane B2 antagonist
0,321 0,304 Integrin antagonist
0,319 0,245 Platelet adhesion inhibitor
0,771 0,048 Antiulcerative
0,771 0,048 Mucomembranous protector
0,333 0,243 ATPase inhibitor
0,727 0,023 Contraceptive female
0,727 0,023 Membrane integrity antagonist
0,438 0,099 Cystic fibrosis treatment
0,438 0,099 Membrane permeability enhancer
0,438 0,099 Prostatic (benign) hyperplasia treatment
0,438 0,099 Membrane permeability enhancer
0,373 0,028 Restenosis treatment
0,373 0,028 Myc inhibitor
0,701 0,014 Septic shock treatment
0,701 0,014 Membrane permeability inhibitor
0,363 0,137 Vasodilator, peripheral
0,363 0,137 Prostaglandin antagonist
0,770 0,010 Apoptosis agonist
0,752 0,006 Cell adhesion inhibitor
0,613 0,005 Chemopreventive
0,444 0,013 Osteoarthritis treatment
0,448 0,023 Reductant
0,592 0,178 Cardioprotectant
0,430 0,023 Sweetener
0,434 0,031 Hepatic disorders treatment
0,389 0,051 Cytostatic
0,377 0,042 Antidote
0,400 0,088 Psychosexual dysfunction treatment
0,399 0,113 Hypothermic
0,321 0,060 Contraceptive
0,375 0,145 Teratogen
0,319 0,091 Anorexiant
0,361 0,140 Chemoprotective
0,312 0,094 Hypertensive
0,327 0,180 Atherosclerosis treatment
0,362 0,296 Antihypoxic
0,685 0,005 Capillary fragility treatment
0,546 0,004 Antihemorrhagic
0,591 0,072 Fibrinolytic
0,562 0,060 Antidyskinetic
0,318 0,009 Mucolytic
0,319 0,058 Bronchodilator
0,390 0,147 Antialcoholic
0,350 0,117 Miotic
0,342 0,145 Pulmonary hypertension treatment
0,361 0,179 Antihelmintic (Nematodes)
0,323 0,243 Dependence treatment
0,302 0,225 Ovulation inhibitor
|
|
MECHANISMS
0,939 0,007 Membrane integrity agonist
0,939 0,007 Antiseborrheic
0,939 0,005 Antiinflammatory
0,939 0,005 Antipruritic
0,857 0,020 Phosphatase inhibitor
0,857 0,014 Antineoplastic
0,797 0,005 Free radical scavenger
0,939 0,005 Antiinflammatory
0,797 0,005 Hepatoprotectant
0,797 0,005 Antipruritic, allergic
0,797 0,005 Antipsoriatic
0,752 0,006 Cell adhesion inhibitor
0,745 0,003 Testosterone 17beta-dehydrogenase inhibitor
0,771 0,048 Mucomembranous protector
0,728 0,006 Cytochrome P450 inhibitor
0,474 0,002 Cytochrome P450 CYP3A4 inhibitor
0,529 0,046 Cytochrome P450 CYP2C9 inhibitor
0,797 0,005 Antipruritic, allergic
0,717 0,004 Naringenin-chalcone synthase inhibitor
0,732 0,019 Pectate lyase inhibitor
0,727 0,023 Membrane integrity antagonist
0,857 0,014 Antineoplastic
0,727 0,023 Antifungal
0,727 0,023 Contraceptive female
0,710 0,007 Naringenin 3-dioxygenase inhibitor
0,797 0,005 Antioxidant
0,698 0,016 L-ascorbate oxidase inhibitor
0,685 0,004 Iodide peroxidase inhibitor
0,701 0,014 Membrane permeability inhibitor
0,939 0,005 Antiinflammatory
0,797 0,005 Hepatoprotectant
0,701 0,014 Hemostatic
0,797 0,005 Antipruritic, allergic
0,683 0,006 NAD(P)H dehydrogenase (quinone) inhibitor
0,670 0,001 Leucoanthocyanidin reductase inhibitor
0,656 0,014 P-benzoquinone reductase (NADPH) inhibitor
0,640 0,005 Creatine kinase inhibitor
0,653 0,026 Carbonyl reductase (NADPH) inhibitor
0,610 0,006 Phenylalanine ammonia-lyase inhibitor
0,614 0,012 CYP1A substrate
0,504 0,015 CYP1A1 substrate
0,468 0,030 CYP1A2 substrate
0,630 0,033 Neurotrophic factor enhancer
0,583 0,011 Caffeate O-methyltransferase inhibitor
0,620 0,064 Nerve growth factor agonist
0,570 0,018 Aryl-alcohol dehydrogenase (NADP+) inhibitor
0,612 0,069 NAD(P)+-arginine ADP-ribosyltransferase inhibitor
0,575 0,040 1-Alkylglycerophosphocholine O-acetyltransferase inhibitor
0,537 0,023 CYP2A11 substrate
0,556 0,046 CYP2A3 substrate
0,523 0,021 Beta-carotene 15,15'-monooxygenase inhibitor
0,535 0,036 Histamine release stimulant
0,532 0,034 CDK2/cyclin A inhibitor
0,575 0,015 Lipid peroxidase inhibitor
0,797 0,005 Antioxidant
0,533 0,042 NADPH-ferrihemoprotein reductase inhibitor
0,508 0,035 Dihydroxy-acid dehydratase inhibitor
0,482 0,010 Glutathione-disulfide reductase inhibitor
0,558 0,096 Oxidoreductase inhibitor
0,503 0,040 Kinase inhibitor
0,857 0,014 Antineoplastic
0,727 0,023 Antifungal
0,543 0,094 Hydroxylamine reductase (NADH) inhibitor
0,701 0,014 Hemostatic
0,465 0,033 Scytalone dehydratase inhibitor
0,508 0,082 Trans-cinnamate 4-monooxygenase inhibitor
0,464 0,043 CYP2C11 substrate
0,488 0,068 Nitrite reductase [NAD(P)H] inhibitor
0,498 0,080 Steroid N-acetylglucosaminyltransferase inhibitor
0,446 0,049 Polarisation stimulant
0,400 0,007 Histidine decarboxylase inhibitor
0,797 0,005 Antipruritic, allergic
0,425 0,034 Xenobiotic-transporting ATPase inhibitor
0,449 0,059 Histamine release inhibitor
0,394 0,005 CYP1B substrate
0,370 0,005 CYP1B1 substrate
0,482 0,096 Trans-pentaprenyltranstransferase inhibitor
0,416 0,031 Plastoquinol-plastocyanin reductase inhibitor
0,410 0,036 Protein-tyrosine kinase (PTK, not ETK, WZC) inhibitor
0,423 0,058 Vitamin-K-epoxide reductase (warfarin-insensitive) inhibitor
0,379 0,017 Dihydrobenzophenanthridine oxidase inhibitor
0,409 0,049 Trypanothione-disulfide reductase inhibitor
0,369 0,013 Quercetin 2,3-dioxygenase inhibitor
0,440 0,084 CYP2B5 substrate
0,564 0,010 Expectorant
0,318 0,009 Mucolytic
0,379 0,029 Flavone apiosyltransferase inhibitor
0,375 0,028 2-Enoate reductase inhibitor
0,476 0,129 Cardiovascular analeptic
0,373 0,028 Myc inhibitor
0,857 0,014 Antineoplastic
0,517 0,172 Ecdysone 20-monooxygenase inhibitor
0,438 0,097 Gonadotropin antagonist
0,356 0,016 (S)-canadine synthase inhibitor
0,387 0,050 L-lysine 6-transaminase inhibitor
0,438 0,099 Membrane permeability enhancer
0,727 0,023 Antifungal
0,438 0,099 Cystic fibrosis treatment
0,382 0,050 CYP2C6 substrate
0,381 0,050 DNA ligase (ATP) inhibitor
0,380 0,053 Asparagine-tRNA ligase inhibitor
0,442 0,115 Indole-3-acetaldehyde oxidase inhibitor
0,401 0,074 Cholestanetriol 26-monooxygenase inhibitor
0,432 0,111 4-Methoxybenzoate monooxygenase (O-demethylating) inhibitor
0,939 0,005 Antipruritic
0,797 0,005 Antipruritic, allergic
0,426 0,114 CYP2A2 substrate
0,333 0,025 Salutaridinol 7-O-acetyltransferase inhibitor
0,439 0,132 Leukotriene C antagonist
0,340 0,268 Leukotriene C4 antagonist
0,406 0,100 2,6-Dihydroxypyridine 3-monooxygenase inhibitor
0,371 0,067 Phenol 2-monooxygenase inhibitor
0,402 0,098 CYP2B11 substrate
0,507 0,109 Immunosuppressant
0,939 0,005 Antiinflammatory
0,797 0,005 Antipruritic, allergic
0,371 0,071 CYP2A5 substrate
0,331 0,030 Indoleamine-pyrrole 2,3-dioxygenase inhibitor
0,375 0,075 CYP2F1 substrate
0,374 0,074 Inositol 4-methyltransferase inhibitor
0,398 0,099 Nitrate reductase inhibitor
0,371 0,073 Thiamine-triphosphatase inhibitor
0,315 0,014 Tubulin antagonist
0,857 0,014 Antineoplastic
0,315 0,014 Antileukemic
0,312 0,015 Glycerol dehydrogenase (NADP+) inhibitor
0,440 0,147 Adenylate cyclase stimulant
0,694 0,083 Myocardial ischemia treatment
0,302 0,013 2-Dehydropantolactone reductase (A-specific) inhibitor
0,326 0,038 Deoxyribonuclease I inhibitor
0,314 0,026 CYP2A10 substrate
0,430 0,144 Proteasome endopeptidase complex inhibitor
0,322 0,035 3-Demethylubiquinone-9 3-O-methyltransferase inhibitor
0,332 0,049 RNA synthesis inhibitor
0,857 0,014 Antineoplastic
0,684 0,026 6 Lipoxygenase inhibitor
0,523 0,023 5 Lipoxygenase inhibitor
0,939 0,005 Antiinflammatory
0,797 0,005 Antipruritic, allergic
0,797 0,005 Antipsoriatic
0,939 0,005 Antiinflammatory
0,332 0,069 Interferon antagonist
0,561 0,048 Imidazoline receptor agonist
0,365 0,027 Imidazoline I1 receptor agonist
0,315 0,056 Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase inhibitor
0,331 0,074 Phloroglucinol reductase inhibitor
0,387 0,131 L-glucuronate reductase inhibitor
0,326 0,071 Fumarate reductase (NADH) inhibitor
0,380 0,127 Alcohol oxidase inhibitor
0,394 0,147 Thromboxane B2 antagonist
0,304 0,061 Tetrahydroxynaphthalene reductase inhibitor
0,306 0,067 Biphenyl-2,3-diol 1,2-dioxygenase inhibitor
0,398 0,163 Neurotrophic factor
0,426 0,194 Peroxidase inhibitor
0,382 0,155 Glucan 1,4-beta-glucosidase inhibitor
0,395 0,171 Cyclooxygenase 1 inhibitor
0,303 0,079 AMP deaminase inhibitor
0,363 0,137 Prostaglandin antagonist
0,939 0,005 Antiinflammatory
0,361 0,140 Chemoprotective
0,326 0,108 CYP3A substrate
0,517 0,138 CYP3A1 substrate
0,495 0,100 CYP3A2 substrate
0,352 0,106 CYP3A4 substrate
0,340 0,122 Gentisate 1,2-dioxygenase inhibitor
0,410 0,195 Tumour necrosis factor alpha antagonist
0,939 0,005 Antiinflammatory
0,394 0,179 Cathepsin G inhibitor
0,384 0,172 Lactaldehyde reductase inhibitor
0,392 0,181 Quinoprotein glucose dehydrogenase inhibitor
0,367 0,158 Interferon agonist
0,857 0,014 Antineoplastic
0,319 0,118 Anthranilate 3-monooxygenase (deaminating) inhibitor
0,377 0,182 Magnesium-protoporphyrin IX monomethyl ester (oxidative) cyclase inhibitor
0,341 0,152 H+-transporting two-sector ATPase inhibitor
0,399 0,213 CYP2D16 substrate
0,355 0,171 Pyruvate decarboxylase inhibitor
0,391 0,218 CYP2A1 substrate
0,306 0,139 Monoamine uptake inhibitor
0,386 0,221 Lipid metabolism regulator
0,366 0,203 Penicillin amidase inhibitor
0,321 0,162 Octopamine antagonist
0,316 0,161 Glutaminase inhibitor
0,329 0,177 Glycerol-3-phosphate dehydrogenase inhibitor
0,313 0,166 CYP2C8 substrate
0,326 0,183 L-iditol 2-dehydrogenase inhibitor
0,314 0,175 Microtubule formation stimulant
0,311 0,177 CYP2B6 substrate
0,308 0,212 Myosin ATPase inhibitor
0,333 0,243 ATPase inhibitor
0,771 0,048 Antiulcerative
0,333 0,069 Antiosteoporotic
0,360 0,277 Uroporphyrinogen-III synthase inhibitor
0,319 0,245 Platelet adhesion inhibitor
0,337 0,264 Vasodilator, cerebral
0,311 0,240 CC chemokine 2 receptor antagonist
0,301 0,230 Laccase inhibitor
0,306 0,236 Vomilenine glucosyltransferase inhibitor
0,321 0,263 Membrane dipeptidase inhibitor
0,329 0,289 2-Oxoglutarate decarboxylase inhibitor
0,335 0,301 Glyceryl-ether monooxygenase inhibitor
0,343 0,311 NADPH oxidase inhibitor
0,324 0,301 3-Hydroxybenzoate 4-monooxygenase inhibitor
0,322 0,299 Monodehydroascorbate reductase (NADH) inhibitor
0,335 0,316 Insulysin inhibitor
0,321 0,304 Integrin antagonist
0,939 0,005 Antiinflammatory
0,857 0,014 Antineoplastic
0,333 0,069 Antiosteoporotic
0,301 0,291 Gingipain K inhibitor
0,302 0,300 [acyl-carrier-protein] S-acetyltransferase inhibitor
0,327 0,328 General pump inhibitor
0,305 0,312 2,3-Dihydroxybenzoate 2,3-dioxygenase inhibitor
0,309 0,328 N-carbamoyl-L-amino-acid hydrolase inhibitor
0,313 0,332 Chitinase inhibitor
|
|
Table-4:Biological Activity Spectrum Of Anti HIV constituent - Cardamonin
|
|
28 Substructure descriptors; 0 new. 7 Possible activities at Pa > 70% Pa Pi for Activity: 0,899 0,014 Mucomembranous protector
0,878 0,001 Sodium/bile acid cotransporter inhibitor
0,884 0,021 Membrane integrity agonist
0,769 0,008 2,6-Dihydroxypyridine 3-monooxygenase inhibitor
0,763 0,030 CC chemokine 2 receptor antagonist
0,789 0,083 Antiseborrheic
0,703 0,015 Carminative
|
|
EFFECTS
0,884 0,021 Antiviral
0,884 0,021 Antiviral (HIV)
0,884 0,021 Membrane integrity agonist
0,884 0,021 Membrane integrity agonist
0,884 0,021 Antipruritic
0,884 0,021 Membrane integrity agonist
0,884 0,021 Antiinflammatory
0,884 0,021 Membrane integrity agonist
0,763 0,030 Antineurogenic pain
0,763 0,030 CC chemokine 2 receptor antagonist
0,878 0,001 Atherosclerosis treatment
0,878 0,001 Sodium/bile acid cotransporter inhibitor
0,884 0,021 Dermatologic
0,884 0,021 Antieczematic
0,884 0,021 Membrane integrity agonist
0,884 0,021 Antiseborrheic
0,884 0,021 Membrane integrity agonist
0,884 0,021 Psychotropic
0,884 0,021 Antiepileptic
0,884 0,021 Membrane integrity agonist
0,763 0,030 Antiarthritic
0,763 0,030 CC chemokine 2 receptor antagonist
0,878 0,001 Antihypercholesterolemic
0,878 0,001 Sodium/bile acid cotransporter inhibitor
0,000 0,000 Antiulcerative
0,899 0,014 Mucomembranous protector
|
|
MECHANISMS
0,899 0,014 Mucomembranous protector
0,878 0,001 Sodium/bile acid cotransporter inhibitor
0,884 0,021 Membrane integrity agonist
0,884 0,021 Antiseborrheic
0,769 0,008 2,6-Dihydroxypyridine 3-monooxygenase inhibitor
0,763 0,030 CC chemokine 2 receptor antagonist
|
|