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Now showing items 11-13 of 13
Repurposing based identification of novel inhibitors against mmps5-mmpl5 efflux pump of Mycobacterium smegmatis: A combined in silico and in vitro study
(MDPI, 2022)
In the current era of a pandemic, infections of COVID-19 and Tuberculosis (TB) enhance
the detrimental effects of both diseases in suffering individuals. The resistance mechanisms evolving
in Mycobacterium tuberculosis ...
Oxazinethione derivatives as a precursor to pyrazolone and pyrimidine derivatives: Synthesis, biological activities, molecular modeling, adme, and molecular dynamics studies
(MDPI, 2021)
In this study, we used oxazinethione as a perfect precursor to synthesize new pyrimidine and pyrazole derivatives with potent biological activities. Biological activities were determined for all compounds against A. flavus, ...
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. ...