… 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 …

… 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 …

… In this study, 415 natural compounds isolated from different sources such as plants, bacteria
and fungi, and belonging to different classes of secondary metabolites were screened for …

… Molecular docking analysis of natural compounds … virtual screen (HVTS) precision method
was used to screen the 30,926 compounds. Top-scored compounds were further screened …

… To identify the potential anti-opisthorchid compound, we conducted a structure-based
virtual screening of natural compounds from the ZINC database (n = 1,65,869) against the …

… This has been exploited in order to design specific TR inhibitors, such as mimics of the natural
substrate 11 or molecules containing an aromatic moiety linked to a (poly)amino chain by …

… out to explore natural compounds as potential AChE inhibitors. Virtual screening, via drug-…
analyses, has been utilized to identify putative novel AChE inhibitors. The InterBioScreen's …

… based virtual screening using the β-haematin crystal as a target for new inhibitor scaffolds
by … of the β-haematin crystal using the PyRx Virtual Screening Tool. Top-ranked compounds …