As a complement to virtual screening, de novo design of small molecules is an alternative
approach for identifying potential drug candidates. Here, we present a new 3D genetic …

Human FABP5 and FABP7 are intracellular endocannabinoid transporters. SBFI-26 is an α-
truxillic acid 1-naphthyl monoester that competitively inhibits the activities of FABP5 and …

De novo design can be used to explore vast areas of chemical space in computational lead
discovery. As a complement to virtual screening, from‐scratch construction of molecules is …

Fragment-based lead discovery (FBLD) is a powerful application for developing ligands as
modulators of disease targets. This approach strategy involves identification of interactions …

Ceramides impact a diverse array of biological functions and have been implicated in
disease pathogenesis. The enzyme neutral ceramidase (nCDase) is a zinc-containing …

Fatty acid binding protein 5 (FABP5) is a promising target for development of inhibitors to
help control pain and inflammation. In this work, computer-based docking (DOCK6 program) …

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) an enveloped, positive-
sense single-stranded RNA virus that is responsible for the COVID-19 pandemic. The viral …

The World Health Organization has designated Zika virus (ZIKV) as a dangerous, mosquito-
borne pathogen that can cause severe developmental defects. The primary goal of this work …

ABSTRACT A key step in the Ebola virus (EBOV) replication cycle involves conformational
changes in viral glycoprotein 2 (GP2) which facilitate host-viral membrane fusion and …

Abstract Mitogen‐inducible gene 6 (Mig6) is a cellular inhibitor of epidermal growth factor
receptor (EGFR) that binds directly to the EGFR kinase domain and interferes with signaling …