Integrated ligand and structure based studies of flavonoids as fatty acid biosynthesis inhibitors of Plasmodium falciparum.
A common feature pharmacophore with two hydrogen-bond acceptor and one aromatic hydrophobic feature has been generated using seven active flavonoids. Docking studies of these compounds well corroborates with the pharmacophore model. Therefore models could be useful for identification of potential novel FAS-II inhibitors.
Gupta
Amit K
AK
Medicinal and Process Chemistry Division, Central Drug Research Institute, C.S.I.R., Lucknow 226 001, India.
Saxena
Shruti
S
Saxena
Mridula
M
D000962:Antimalarials / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D001665:Binding Sites; D002392:Catechin / Q000031:analogs & derivatives / Q000737:chemistry; D003198:Computer Simulation; D054889:Fatty Acid Synthase, Type II / Q000037:antagonists & inhibitors* / Q000378:metabolism; D005419:Flavonoids / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D008024:Ligands; D010963:Plasmodium falciparum / Q000187:drug effects*
D000962:Antimalarials; D005419:Flavonoids; D008024:Ligands; C417939:catechin gallate; D002392:Catechin; D054889:Fatty Acid Synthase, Type II