Pharmacognosy and reverse pharmacognosy: A new concept for accelerating natural drug discovery

IDrugs

Volumn 7, Issue 11, 2004, Pages 1017-1027

  Do, Quoc Tuan ^a   Bernard, Philippe ^a  

^a GreenPharma SA   (France)

Author keywords

Biodiversity; High throughput screening; Molecular diversity; Pharmacognosy; Reverse pharmacognosy; Virtual screening

Indexed keywords

3 [4 METHYL 2 (2 OXO 3 INDOLINYLMETHYLIDENYL) 3 PYRROLYL]PROPIONIC ACID; ANTIINFLAMMATORY AGENT; BETULIC ACID; CYCLOOXYGENASE 2 INHIBITOR; FIBROBLAST GROWTH FACTOR RECEPTOR; FLAVONE DERIVATIVE; FLAVONOID; G PROTEIN COUPLED RECEPTOR AGONIST; G PROTEIN COUPLED RECEPTOR ANTAGONIST; GENISTEIN; NATURAL PRODUCT; NEW DRUG; PHOSPHODIESTERASE INHIBITOR; PHOSPHOLIPASE A2 INHIBITOR; RECEPTOR BLOCKING AGENT; TETRODOTOXIN; UNCLASSIFIED DRUG;

COMBINATORIAL CHEMISTRY; DATA BASE; DRUG ACTIVITY; DRUG DETERMINATION; DRUG IDENTIFICATION; DRUG ISOLATION; DRUG RESEARCH; DRUG SCREENING; DRUG SELECTIVITY; DRUG STRUCTURE; HIGH THROUGHPUT SCREENING; IN VITRO STUDY; IN VIVO STUDY; NONHUMAN; PHARMACOGNOSY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; TRADITIONAL MEDICINE; WESTERN HEMISPHERE;

ANIMALS; BIOLOGICAL FACTORS; DRUG DESIGN; HUMANS; PHARMACOGNOSY; PHARMACOLOGY;

EID: 9944227671     PISSN: 13697056     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Review

References (55)

1. Tollman P, Guy P, Altshuler J, Flanagan A, Steiner M: A revolution in R&D. How genomics and genetics are transforming the bilopharmaceutical industry. The Boston Consulting Group, Boston, MA, USA (2001). http://www.heartland.org/pdf/10744.pdf
2. Lahana R: How many leads from HTS? Drug Disc Today (1999) 4 (10):447-448.
3. Myers PL: Will combinatorial chemistry deliver real medicines? Curr Opin Biotechnol (1997) 8 (6):701-707.
4. Burnout C, Pruniaux MP: Recent advances in PDE4 inhibitors as immunoregulators and anti-inflammatory drugs. Curr Pharm Design (2002) 8(14):1255-1296.
5. Feher M, Schmidt J: Property distributions: Differences between drugs, natural products and molecules from combinatorial chemistry. J Chem Inf Comput Sci (2003) 43(1):218-227.
6. Kao CY: Pharmacology of tetrodotoxin and saxitoxin. Fed Proc (1972) 31(3):1117-1123.
7. Duke JA: Promising phytomedicinals. In: Advances in New Crops. Janick J, Simon JE (Eds), Timber Press, Portland, OR, USA (1990):491-498.
8. Harvey AL: Medicines from nature: Are natural products still relevant to drug discovery? Trends Pharmacol Sci (1999) 20(5):196-198.
9. Harvey A: Strategies for discovering drugs from previously unexplored natural products. Drug Disc Today (2000) 5 7):294-300.
10. Anton R: Plantes Thérapeutiques. Lavoisier, Cachan, France (1999).
11. Massiot G: How far can one go in the field of structural elucidation of natural products? J Ethnopharmacol (1991) 32 1-3):103-110.
12. Tiew P, Ioset JR, Kokpol U, Chavasiri W, Hostettmann K: Antifungal, antioxidant and larvicidal activities of compounds isolated from the heartwood of Mansonia gagei. Phytother Res (2003) 17 2):190-193.
13. Jossang A, Bitar HE, Pham VC, Sevenet T: Daphcalycine, a novel heptacycle fused ring system alkaloid from Daphniphyllum calycinum. J Org Chem (2003) 68(2):300-304.
14. Potier P, Gueritte-Voegelein F, Guenard D: Taxoids, a new class of antitumour agents of plant origin: Recent results. Nouv Rev Fr Hemmatol (1994) 36(Suppl 1):S21-S23.
15. Yan X, Zhou J, Xu Z: Concept design of computer-aided study on traditional Chinese drugs. J Chem Inf Comput Sci (1999) 39(1):86-89.
16. Bernard P, Scior T, Didier B, Hibert M, Berthon JY: Ethnopharmacology and bioinformatic combination for lead discovery: Application to phospholipase A2 inhibitors. Phytochemistry (2001) 58(6):865-874.
17. Bruneton J: Pharmacognosie, Phytochimie, Plantes Médicinales. Lavoisier, Paris, France (1993):viii.
18. Plotkin M: Les Chamans. Les Médicaments du Futur sont dans la Nature. First Edition, Paris, France (2000):228.
19. Collins RA, Ng TB, Fong WP, Wan CC, Yeung HW: Removal of polyphenolic compounds from aqueous plant extracts using polyamide minicolumns. Biochem Mol Biol Int (1998) 45(4):791-796.
20. Luu DV: Quelle est l'importance de l'eau dans la Plante at dans les produits à base de plantes? Incidence du Bio Euroforum: Produits à base de plantes, Nantes, France (2003).
21. Stolyhwo A, Colin H, Guiochon G: Use of light scattering as a detector principle in liquid chromatography. J Chromatogr A (1983) 265:1-18.
22. CONCORD: Tripos Inc, St Louis, MO, USA. http://www.tripos.com/sciTech/inSilicoDisc/cheminfo/concord.html
23. UNITY: Tripos Inc, St Louis, MO, USA. http://www.tripos.com/sciTech/inSilicoDisc/cheminfo/unity.html
24. Matter H: Selecting optimally diverse compounds from structure databases: A validation study of two-dimensional and three-dimensional molecular descriptors. J Med Chem (1997) 40 8):1219-1229.
25. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ: Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev (1997) 23:4-25.
26. Charifson PS, Walters WP: Filtering databases and chemical libraries. J Comput Aided Mol Des (2002) 16(5-6 ):311-323.
27. Clark RD: OptiSim: An extended dissimilarity selection method for finding diverse representative subsets. J Chem Inf Comput Sci (1997) 37(6):1181-1188.
28. SYBYL/Base: Tripos Inc, St Louis, MO, USA. http://www.tripos.com/sciTech/inSilicoDisc/moleculeModeling /sybase.html
29. Rarey M, Kramer B, Lengauer T, Klebe G: A fast flexible docking method using an incremental construction algorithm. J Mol Biol (1996) 261(3):470-489.
30. Bissantz C, Bernard P, Hibert M, Rognan D: Protein-based virtual screening of chemical databases. II. Are homology models of G-protein coupled receptors suitable targets? Proteins (2003) 50(1):5-25.
31. Bissantz C, Folkers G, Rognan D: Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations. J Med Chem (2000) 43 25):4759-4767.
32. Paul N, Rognan D: ConsDock: A new program for the consensus analysis of protein-ligand interactions. Proteins (2002) 47(4):521-533.
33. Martin YC, Bures MG, Danaher EA, DeLazzer J, Lico I, Pavlik PA: A last new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists. J Comput Aided Mol (1993) 7(1):83-102.
34. 2 ligands: A significant model through a combined exploration of structural diversity and methodology. J Med Chem (2000) 43(6):1109-1122.
35. 1-acid glycoprotein: Generation of a three-dimensional quantitative structure-activity relationship model for drug binding to the A variant. Mol Pharmacol (1998) 54(1):129-138.
36. Gao H, Williams C, Labute P, Bajorath J: Binary quantitative structure-activity relationship (QSAR) analysis of estrogen receptor ligands. J Chem Inf Comput Sci (1999) 39 1):164-168.
37. Cramer III R, Patterson DE, Bunce JD: Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. J Am Chem Soc (1988) 110 18):5959-5967.
38. Kohonen T, Somervuo P: How to make large self-organizing maps for nonvectorial data. Neural Networks (2002) 15 8-9):945-952.
39. Sadowski J, Kubinyi H: A scoring scheme for discriminating between drugs and nondrugs. J Med Chem (1998) 41 18):3325-3329.
40. Pintore M, Piclin N, Benfenati E, Gini G, Chretien JR: Database mining with adaptive fuzzy partition: Application to the prediction of pesticide toxicity on rats. Environ Toxicol Chem (2003) 22(5):983-991.
41. Böhm HJ: The computer program LUDI: A new method for the de novo design of enzyme inhibitors. J Comput Aided Mol Des (1992) 6(1):61-78.
42. Jones G, Willett P, Glen RC, Leach AR, Taylor R: Development and validation of a genetic algorithm for flexible docking. J Mol Biol (1997) 267(3):727-748.
43. Shoichet BK, Kuntz ID: Matching chemistry and shape in molecular docking. Protein Eng (1993) 6(7):723-732.
44. Böhm HJ, Schneider G: Virtual Screening for Bioactive Molecules. Wiley-VCH, Weinheim, Germany (2000).
45. Bertolotto C, Ballotti R: La tyrosinase est l'enzyme clé de la mélanogenèse. Cosmé tologie(1999) 24 20-22.
46. Li AP: Screening for human ADME/Tox drug properties in drug discovery. Drug Disc Today (2001) 6(7):357-366.
47. Levitzki A: Protein tyrosine kinase inhibitors as novel therapeutic agents. Pharmacol Ther(1999) 82(2-3 ):231-239.
48. Lessel UF, Briem H: Flexsim-X: A method to detect molecules with similar biological activity. J Chem lnf Comput Sci (2000) 40(2):246-253.
49. Chen YZ, Zhi DG: Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule. Proteins (2001) 43(2):217-226.
50. Mohammadi M, McMahon G, Sun L, Tang C, Hirth P, Yeh BK, Hubbard SR, Schlessinger J: Structures of the tyrosine kinase domain of fibroblast growth factor receptor in complex with inhibitors. Science (1997) 276(5314):955-960.
51. Huai Q, Wang H, Sun Y, Kim HY, Liu Y, Ke H: Three-dimensional structures of PDE4D in complex with roliprams and implication on inhibitor selectivity. Structure (Camb) (2003) 11(7):865-873.
52. Nichols MR, Morimoto BH: Differential inhibition of multiple cAMP phosphodiesterase isozymes by isoflavones and tyrphostins. Mol Pharmacol (2000) 57(4):738-745.
53. Shin HJ, Kim HJ, Kwak JH, Chun HO, Kim JH, Park H, Kim DH, Lee YS: A prenylated flavonol, sophoflavescenol: A potent and selective inhibitor of cGMP phosphodiesterase 5. Bioorg Med Chem Lett (2002) 12(17):2313-2316.
54. Saponara R, Bosisio E: Inhibition of cAMP-phosphodiesterase by biflavones of Ginkgo biloba in rat adipose tissue. J Nat Prod (1998) 61(11):1386-1387.
55. McTigue MA, Wickersham JA, Pinko C, Showalter RE, Parast CV, Tempczyk-Russell A, Gehring MR, Mroczkowski B, Kan CC, Villafranca JE, Appelt K: Crystal structure of the kinase domain of human vascular endothelial growth factor receptor 2: A key enzyme in anglogenesis. Structure Fold Des (1999) 7(3):319-330.