… structure-based virtual screening of 1,82,651 natural compounds … The virtual screening
yielded 110 hits with docking scores … from a database of zinc natural molecules as potential leads …

… Therefore, it is hypothesized that X77 would be exerting the same effect seen in the
natural substrate and thus its main inhibition mechanism would not be the disruption of the …

… This study described in detail the mechanism of TMA lyase and the virtual screening of
flavonoids as TMA lyase inhibitors. These flavonoids may further inhibit the formation and …

… In the present study, we have screened the natural compounds’ library of ZINC database
and identified three hit compounds NT23, ST72, and NT18, by structure-based virtual screening …

… and characterizing novel mTOR inhibitors. An integrated virtual screening strategy using …
employed to discover new ATP-competitive mTOR inhibitors (Fig. 1). The hits selected via …

… provides an invaluable tool for evaluation of inhibitory activity of these compounds … virtual
screening against Vpu protein for marine products, to determine the most potent inhibitors of …

… Virtual Screening The main objective of the present study was to screen for natural product
chemicals which potentially binds to Mpro. Virtual screening of 2,526 compounds from …

… The natural products and their derivatives mimic over 50% of all drugs that are being used …
investigation of natural inhibitors against EGFR696-1022 T790M from diverse natural sources …

… of PLpro is essential for developing a potent inhibitor. We developed and validated a …
inhibitor. The pharmacophore model-aided virtual screening of the comprehensive marine natural …

… Here we report the identification of a set of new, selective BChE inhibitors from natural
products with solanaceous alkaloid scaffolds through structure-based virtual screening and in …