DOCKING STUDIES OF AMINOHYDANTOIN DERIVATIVES AS ANTIMALARIAL AGENTS

Molecular docking studies on xanthohumol derivatives as novel ‎anticancer agents ‎

A set of Xanthohumol derivatives were selected and molecular docking studies of these ‎compounds on thioredoxin reductase were conducted. Based on new structural patterns using in ‎silico-screening study, new potent lead compounds were designed. The results due to validated ‎docking protocols lead to find that Thr58, Gly57, Gly21, Asp334, Glu163, Ala130, IIe332, ‎Val44 and Gly132 are the main a...

Design and Docking Study of Some Pyrimidine derivatives as Antimalarial Agents

Background and Aim: According to the latest estimate published by the World Health Organization in 2017, there are 219 million malaria cases and 435,000 deaths. With the emergence of drug-resistant strains in malaria, there is a need for new drug targets every time. In this study, the design and docking study of the pyrimidine derivatives for inhibiting Methionine aminopeptidase1B enzyme (Metap...

3D QSAR Studies of 1,3,4-oxadiazole derivatives as antimycobacterial agents

Recently several 1,3,4-oxadiazole derivatives were identified as potentially active antimycobacterial agents. Various 5-aryl-2-thio-1,3,4-oxadiazoles have been reported having good antimycobacterial activity against Mycobacterium tuberculosis H37Rv (ATCC 27294). In this paper we report 3D QSAR studies for the 41 molecules of 1,3,4-oxadiazoles by using k-Nearest Neighbor Molecular Field Analysis...

3D QSAR Studies of 1,3,4-oxadiazole derivatives as antimycobacterial agents

Recently several 1,3,4-oxadiazole derivatives were identified as potentially active antimycobacterial agents. Various 5-aryl-2-thio-1,3,4-oxadiazoles have been reported having good antimycobacterial activity against Mycobacterium tuberculosis H37Rv (ATCC 27294). In this paper we report 3D QSAR studies for the 41 molecules of 1,3,4-oxadiazoles by using k-Nearest Neighbor Molecular Field Analysis...

synthesis and docking studies of new 4-oxo-1,3-thiazolidine derivatives as potential anticonvulsant agents