Nikolay Filippovich Savchuk

TL;DR: In the pilot stage of Phase II/III clinical trial, AVIFAVIR enabled SARS-CoV-2 viral clearance in 62.5% of patients within 4 days, and was safe and well-tolerated.

TL;DR: A critical discussion of in silico models for the prediction of DMSO and water solubility of drug-like compounds used for virtual screening and main tendencies in the field, "booming" approaches and unsolved problems are provided.

TL;DR: This study illustrates that patch clamping data from various literature sources can be combined to generate valid models of hERG inhibition for prospective predictions, and the Sammon map model provided the best qualitative classification of the test set compared with the Kohonen map model, and was superior to the consensus approach.

TL;DR: A computational algorithm for evaluating the possibility of cytochrome P450-mediated metabolic transformations that xenobiotics molecules undergo in the human body and built a nonlinear quantitative structure-metabolism relationships (QSMR) model based on Kohonen self-organizing maps (SOM).

TL;DR: The method enables efficient qualification or disqualification of a molecule as a potential GPCR ligand and represents a useful tool for constraining the size of G PCR-targeted libraries that will help speed up the development of new GPCC-active drugs.