Optimization of binding affinities for compounds to their target protein is a primary objective
in drug discovery. Herein we report on a collaborative study that evaluates a set of …

Abstract Background Murine Nischarin and its human homolog IRAS are scaffold proteins
highly expressed in the central nervous system (CNS). Nischarin was initially discovered as …

Proteins need to selectively interact with specific targets among a multitude of similar
molecules in the cell. However, despite a firm physical understanding of binding …

Schistosomiasis, caused by flatworm parasites, is a widespread disease resulting in chronic
illness and fatalities globally. Given the risk of drug resistance and limited treatment options …

Positive allosteric modulators (PAMs) of human metabotropic glutamate receptor 2 (hmGlu2)
are well-known in the treatment of psychiatric disorders for their higher selectivity and lower …

The design of antibody mimetics holds great promise for revolutionizing therapeutic
interventions by offering alternatives to conventional antibody therapies. Structure‐based …

Proteins are intricate molecular machines whose complexity arises from the heterogeneity of
the amino acid building blocks and their dynamic network of many-body interactions. These …

Aims: The rich ethnomedicinal practices of Dakshina Kannada have received considerable
attention, and many treatment methods have been documented. This work aimed to explore …

Computer aided drugs discovery or in silico design is bioinformatics' contribution that
supports pharmacy, medical and dentistry fields. It creates innovation in the search, design …

Developing an understanding of the interactions between an antibiotic and its binding site in
a pathogen cell is the key to antibiotic design—an important cost‐saving methodology …