Zoe L Sessions

TL;DR: The advances in computational approaches to drug discovery of small molecules with epigenetic modulation profiles are reviewed, the current chemogenomics data available for epigenetics targets are summarized, and a perspective on the greater utility of biomedical knowledge mining as a means to advance the epigenetic drug discovery is provided.

TL;DR: In this article, a review of the development and application of the simplex approach for the solution of various QSAR/QSPR problems is presented, including the possibilities of universal molecular stereo-analysis and stereochemical configuration description, along with stereo-isomerization mechanism and molecular fragment topography identification.

TL;DR: In this paper , the authors explored conserved binding sites in the key coronavirus proteins for the development of broad-spectrum direct acting anti-coronaviral compounds and validated the significance of this conservation for drug discovery with existing experimental data.

TL;DR: In this paper, the authors build a dataset of all the secondary metabolites isolated within the Annonaceae family and perform the respective chemotaxonomic analysis using self-organizing maps (SOMs).

TL;DR: Five compounds that bind the human ACE2 protein can interrupt SARS-CoV-2 replication without damaging ACE2’s natural enzymatic function, and serve as a strong starting point for both development of acute treatments for COVID-19 and research into the mechanism of infection.