CamMedNP: Building the Cameroonian 3D structural natural products database for virtual screening

BMC Complementary and Alternative Medicine

Volumn 13, Issue , 2013, Pages

  Ntie Kang, Fidele ^a,b   Mbah, James A ^c   Mbaze, Luc Meva'a ^b   Lifongo, Lydia L ^c   Scharfe, Michael ^a   Hanna, Joelle Ngo ^b,c   Cho Ngwa, Fidelis ^c   Onguéné, Pascal A ^b   Owono, Luc C Owono ^b,d   Megnassan, Eugene ^e   Sippl, Wolfgang ^a   Efange, Simon M N ^c  

^a MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

^b UNIVERSITY OF DOUALA   (Cameroon)

^c UNIVERSITY OF BUEA   (Cameroon)

^d UNIVERSITY OF YAOUNDÉ I   (Cameroon)

^e UNIVERSITÉ NANGUI ABROGOUA   (Côte d’Ivoire)

Author keywords

3D structures, Database collection; Medicinal plants; Natural products; Virtual screening

Indexed keywords

DRUG METABOLITE; NATURAL PRODUCT;

ARTICLE; BIOLOGICAL ACTIVITY; CAMEROON; CAMMEDNP; CHEMBRIDGE; CONTROLLED STUDY; DRUG DATABASE; DRUG ISOLATION; DRUG SCREENING; DRUG STRUCTURE; FLORA; INTERMETHOD COMPARISON; MEDICINAL PLANT; NONHUMAN; PLANT TAXONOMY; SPECIES DIVERSITY;

BIOLOGICAL AGENTS; COMPUTER-AIDED DESIGN; DATABASES, FACTUAL; DRUG DESIGN; MOLECULAR CONFORMATION; PLANTS; USER-COMPUTER INTERFACE;

EID: 84876082619     PISSN: None     EISSN: 14726882     Source Type: Journal    
DOI: 10.1186/1472-6882-13-88     Document Type: Article

References (32)

1. Akerele O. In Summary of WHO guidelines for the assessment of herbal medicine. Herbalgram 1993, 28:13-19.
2. Li JWH, Vederas JC. Drug discovery and natural products: end of an era or an endless frontier?. Science 2009, 325:161-165. 10.1126/science.1168243, 19589993.
3. Chin YW, Balunas MJ, Chai HB, Kinghorn AD. Drug discovery from natural sources. The AAPS Journal 2006, 8(2):E239-E253. 3231566, 16796374.
4. Potterat O, Hamburger M, In Progress in drug research: natural compounds as drugs Drug discovery and development with plant-derived compounds 2008, 45-118. Basel, Birhäusser Verlag AG: Edited by Petersen F, Amstutz R, In Progress in drug research: natural compounds as drugs.
5. Quinn RJ, Carroll AR, Pham MB, Baron P, Palframan ME, Suraweera L, Pierens GK, Muresan S. Developing a drug-like natural product library. J Nat Prod 2008, 71:464-468. 10.1021/np070526y, 18257534.
6. Newman DJ. Natural products as leads to potential drugs: an old process or the new hope for drug discovery?. J Med Chem 2008, 51:2589-2599. 10.1021/jm0704090, 18393402.
7. Harvey AL. Natural products in drug discovery. Drug Discov Today 2008, 13:894-901. 10.1016/j.drudis.2008.07.004, 18691670.
8. Koehn FE, Carter GT. The evolving role of natural products in drug discovery. Nat Rev Drug Discov 2005, 4:206-220. 10.1038/nrd1657, 15729362.
9. Klebe G. Virtual ligand screening: strategies, perspectives and limitations. Drug Discov Today 2006, 11:580-594. 10.1016/j.drudis.2006.05.012, 16793526.
10. Kubinyi H. Structure-based design of enzyme inhibitors and receptor ligands. Curr Opin Drug Discov Develop. 1998, 1:4-15.
11. Fullbeck M, Michalsky E, Dunkel M, Preissner R. Natural products: sources and databases. Nat Prod Rep 2006, 23:347-356. 10.1039/b513504b, 16741583.
12. Dunkel M, Fullbeck M, Neumann S, Preissner R. SuperNatural: a searchable database of available natural compounds. Nucleic Acids Res 2006, 34:D678-D683. 10.1093/nar/gkj132, 1347494, 16381957.
13. Qiao X, Hou T, Zhang W, Guo S, Xu X. A 3D structure database of components from Chinese traditional medicinal herbs. J Chem Inf Comput Sci 2002, 42:481-489. 10.1021/ci010113h, 12086505.
14. Lei J, Zhou J. A marine natural product database. J Chem Inf Comput Sci 2002, 42:742-748. 10.1021/ci010111x, 12086536.
15. Blunt JW, Copp BR, Munro MHG, Northcote PT, Prinsep MR. Marine natural products. Nat Prod Rep 2004, 21:1-49. 10.1039/b305250h, 15039834.
16. López-Pérez JL, Therón R, del Olmo E, Díaz D. NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 2007, 23:3256-3257. 10.1093/bioinformatics/btm516, 17956876.
17. Daisy P, Singh SK, Vijayalakshmi P, Selvaraj C, Rajalakshmi M, Suveena S. A database for the predicted pharmacophoric features of medicinal compounds. Bioinformation 2011, 6(4):167-168. 10.6026/97320630006167, 3092953, 21572886.
18. Pitchai D, Manikkam R, Rajendran SR, Pitchai G. Database on pharmacophore analysis of active principles, from medicinal plants. Bioinformation 2010, 5(2):43-45. 10.6026/9732063000543, 3039985, 21346859.
19. Sangma C, Chuakheaw D, Jongkon N, Saenbandit K, Nunrium P, Uthayopas P, Hannongbua S. Virtual screening for anti-HIV-1 RT and anti-HIV-1 PR inhibitors from the Thai medicinal plants database: a combined docking with neural networks approach. Chem High Throughput Screen 2005, 8(5):417-429.
20. Hostettmann K, Marston A, Ndjoko K, Wolfender JL. The potential of African plants as a source of drugs. Curr Org Chem 2000, 4:973-1010.
21. Kuete V, Efferth T. Cameroonian medicinal plants: pharmacology and derived natural products. Frontiers in Pharmacology 2010, 1:123. 3153003, 21833168.
22. Kuete V. Potential of Cameroonian plants and derived products against microbial infections: a review. Planta Med 2010, 76:1479-1491. 10.1055/s-0030-1250027, 20533165.
23. Efange SMN, In Advances in Phytomedicine Natural products: a continuing source of inspiration for the medicinal chemist 2002, 61-69. Amsterdam, Elsevier Science: Edited by Iwu MM, Wootton JC, In Advances in Phytomedicine.
24. Chemical Computing Group Inc Molecular Operating Environment Software 2010, Montreal, Chemical Computing Group Inc.
25. Halgren TA. Merck molecular forcefield. J Comput Chem 1996, 17:490-641.
26. ChemBridge Corporation [http://chembridge.com/, ChemBridge Corporation.
27. 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 Delivery Rev 1997, 23:3-25.
28. Chapman and Hall/CRC Press Dictionary of Natural Products on CD-Rom 2005, London, Chapman and Hall/CRC Press.
29. Feher M, Schmidt JM. Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry. J Chem Inf Comput Sci 2003, 43:218-227. 10.1021/ci0200467, 12546556.
30. Core R. Team. R: A Language and Environment for Statistical Computing 2012, Vienna: R Foundation for Statistical Computing, [http://www.R-project.org].
31. Chibale K, Davies-Coleman M, Masimirembwa C. Drug discovery in Africa 2012, Springer: impacts of genomics, natural products, traditional medicines, insights into medicinal chemistry, and technology platforms in pursuit of new drugs.
32. pan-ANAPL pan-African Natural Products Library, [http://www.linkedin.com/groups/pANPL-4098579/about], pan-ANAPL.