The latest automated docking technologies for novel drug discovery

J Caballero - Expert opinion on drug discovery, 2021 - Taylor & Francis
Introduction Molecular docking has been consolidated as one of the most important methods
in the molecular modeling field. It has been recognized as a prominent tool in the study of …

Advances in the exploration of the epigenetic relevant chemical space

DL Prado-Romero, JL Medina-Franco - ACS omega, 2021 - ACS Publications
Epigenetic drug discovery is a promising avenue to find therapeutic agents for treating
several diseases and developing novel chemical probes for research. In order to identify hit …

De-Novo design of hits against new delhi metallo-β-lactamase enzyme

A Maity, S Sardar, S Chatterjee, NN Bala… - International Journal of …, 2022 - igi-global.com
Abstract The New Delhi Metallo-β-lactamase 1 (NDM-1) is a class of Metallo-β lactamase
enzyme. It is responsible for hydrolyzing almost all β-lactam antibiotics, leading to multi-drug …

Rational Design of Novel BCL2A1 Inhibitors for Treatment of Autoimmune Diseases: An Integration of Virtual Screening, Transcriptomics and Protein Biophysics

A Thorman - 2018 - search.proquest.com
The balance between cell survival and apoptosis is critical to the modulation of immune
responses and misregulation of this balance often mediates diseases such as intrauterine …