Integrated ligand and structure based studies of flavonoids as fatty acid biosynthesis inhibitors of Plasmodium falciparum

Bioorganic and Medicinal Chemistry Letters

Volumn 20, Issue 16, 2010, Pages 4779-4781

  Gupta, Amit K ^a   Saxena, Shruti ^b   Saxena, Mridula ^b  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

^b AMITY UNIVERSITY   (India)

Author keywords

Antimalarial; Docking; FAS II; Pharmacophore

Indexed keywords

AROMATIC COMPOUND; FATTY ACID SYNTHASE INHIBITOR; FLAVONOID; LIGAND; ANTIMALARIAL AGENT; CATECHIN; CATECHIN GALLATE; FATTY ACID SYNTHASE;

ANTIMALARIAL ACTIVITY; ARTICLE; CRYSTAL STRUCTURE; DRUG CONFORMATION; DRUG STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR MODEL; NONHUMAN; PHARMACOPHORE; PLASMODIUM FALCIPARUM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; ANALOGS AND DERIVATIVES; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; COMPUTER SIMULATION; DRUG EFFECTS; METABOLISM; SYNTHESIS;

ANTIMALARIALS; BINDING SITES; CATECHIN; COMPUTER SIMULATION; FATTY ACID SYNTHETASE COMPLEX, TYPE II; FLAVONOIDS; LIGANDS; PLASMODIUM FALCIPARUM; FATTY ACID SYNTHASE, TYPE II;

PLASMODIUM FALCIPARUM;

EID: 77955422646     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2010.06.120     Document Type: Article

References (12)

1. Aregawi, M.; Williams, R.; Dye, C.; Cibulskis, R.; Otten, M. World Malaria Report 2008, World Health Organization (WHO): Geneva, 2008.
2. A.S. Rosenthal, X. Chen, J.O. Liu, D.C. West, P.J. Hergenrother, T.A. Shapiro, and G.H. Posner J. Med. Chem. 52 2009 1198
3. R.W. Snow, C.A. Guerra, A.M. Noor, H.Y. Myint, and S.I. Hay Nature 434 2005 214
4. P.L. Olliaro, P.B. Boland, P.J. Rosenthal, Antimalarial Chemotherapy 2001 Humana Press Totowa, NJ 65 83
5. M. Chhibber, G. Kumar, P. Parasuraman, T.N. Ramya, N. Surolia, and A. Surolia Bioorg. Med. Chem. 14 2006 8086
6. D. Tasdemir, G. Lack, R. Brun, P. Rüedi, L. Scapozza, and R. Perozzo J. Med. Chem. 49 2006 3345
7. catalyst, Version 4.7 (software package); Accelry: San Diego, CA, 2002. http://www.accelrys.com.
8. D. Barnum, J. Greene, A. Smellie, and P. Sprague J. Chem. Inf. Comput. Sci. 36 1996 563
9. A. Smellie, S.L. Teig, and T.P. Poling J. Comput. Chem. 16 1995 171
10. P.W. Sprague, R. Hoffmann, H. Van de waterbeemd, B. Testa, G. Folkers, Computer-Assisted Lead Finding and Optimization 1997 VCH Weinheim 223 240
11. gold, Version 3.1; Cambridge Crystallographic Data Centre: Cambridge, UK.
12. Schrödinger Software, Version 9.0; Schrödinger, LLC: NY, 2009.