There are many protein ligands and/or drugs described with very different affinity to a large
number of target proteins or receptors. In this work, we selected Ligands or Drug-target pairs …

Respiratory viruses continue to afflict mankind. Among them, pathogens such as
coronaviruses [including the current pandemic agent known as severe acute respiratory …

Alzheimer's disease (AD), a degenerative disease affecting the brain, is the single most
common source of dementia in adults. The cause and the progression of AD still remains a …

The chemokine CXCL12 and its G protein-coupled receptor (GPCR) CXCR4 are high-
priority clinical targets because of their involvement in metastatic cancers (also implicated in …

The neglected tropical diseases (NTDs) affect more than one billion people (one-sixth of the
world's population) and occur primarily in undeveloped countries in sub-Saharan Africa …

Rational design of entry inhibitors is an active area for the discovery of new and effective anti-
HIV agents. C–C Chemokine receptors represent key targets for the HIV entry process …

Reducing costs in terms of time, animal sacrifice, and material resources with computational
methods has become a promising goal in Medicinal, Biological, Physical and Organic …

The heterocycle compounds, with their diverse functionalities, are particularly effective in
inhibiting Janus kinases (JAKs). Therefore, it is crucial to identify the correlation between …

Abstract The compound 4-hydroxy-α-tetralone (1) is major bioactive secondary metabolite of
genus Ammannia (Family-Lythraceae). The compound 1 and its various derivatives are …

Two-dimensional bond-based bilinear indices and linear discriminant analysis are used in
this report to perform a quantitative structure–activity relationship study to identify new …