Browsing Research Articles (SANBI) by Subject "Pharmacophore modeling"
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Computational approaches for the design of novel anticancer compounds based on pyrazolo[3,4-d]pyrimidine derivatives as trap1 inhibitor
(MPDI, 2021)In the present in-silico study, various computational techniques were applied to determine potent compounds against TRAP1 kinase. The pharmacophore hypothesis DHHRR_1 consists of important features required for activity. ... -
Structure based identification of novel inhibitors against ATP synthase of Mycobacterium tuberculosis: A combined in silico and in vitro study
(International Journal of Biological Macromolecules, 2019)The shortcomings of conventional tuberculosis treatments resulting from the development of drug resistance in Mycobacteriumtuberculosis drive a need for the formulation of novel therapeutic agents. The diarylquinoline ...