On the origins of SARS-CoV-2 main protease inhibitors

YL Janin - RSC Medicinal Chemistry, 2024 - pubs.rsc.org
In order to address the world-wide health challenge caused by the COVID-19 pandemic, the
3CL protease/SARS-CoV-2 main protease (SARS-CoV-2-Mpro) coded by its nsp5 gene …

Identification of potent pan-ephrin receptor kinase inhibitors using DNA-encoded chemistry technology

C Madasu, Z Liao, SE Parks… - Proceedings of the …, 2024 - National Acad Sciences
EPH receptors (EPHs), the largest family of tyrosine kinases, phosphorylate downstream
substrates upon binding of ephrin cell surface–associated ligands. In a large cohort of …

Discovery of highly potent and ALK2/ALK1 selective kinase inhibitors using DNA-encoded chemistry technology

R Jimmidi, D Monsivais, HM Ta, KL Sharma… - Proceedings of the …, 2024 - pnas.org
Activin receptor type 1 (ACVR1; ALK2) and activin receptor like type 1 (ACVRL1; ALK1) are
transforming growth factor beta family receptors that integrate extracellular signals of bone …

Expedited SARS‐CoV‐2 Main Protease Inhibitor Discovery Through Modular 'Direct‐To‐Biology'Screening

H Wilders, G Biggs, SM Rowe… - Angewandte Chemie …, 2024 - Wiley Online Library
Reactive fragment (RF) screening has emerged as an efficient method for ligand discovery
across the proteome, irrespective of a target's perceived tractability. To date, however, the …

Building Block-Centric Approach to DNA-Encoded Library Design

PR Fitzgerald, A Dixit, C Zhang… - Journal of Chemical …, 2024 - ACS Publications
DNA-encoded library technology grants access to nearly infinite opportunities to explore the
chemical structure space for drug discovery. Successful navigation depends on the design …

Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries

D Akaberi, M Pourghasemi Lati… - Antimicrobial Agents …, 2024 - journals.asm.org
In vitro screening of large compound libraries with automated high-throughput screening is
expensive and time-consuming and requires dedicated infrastructures. Conversely, the …

The State of the Art on Chemical Databases and Libraries

V Stepanić, D Hršak, R Kobetić - Croatica chemica acta, 2024 - hrcak.srce.hr
Sažetak Molecules that act on the biological target at micromolar level at least are called
hits. The usual method for identifying hits is high-throughput screening (HTS) of chemical …

A Review on Introduction, Importance and Applications of Peptidomimetics.

P Kunal, C Anwar, D Priya, G Rushikesh… - Asian Journal of …, 2024 - ajprd.com
Peptidomimetics, a class of compounds that bridge the gap between peptides and small
molecules, have emerged as a transformative class of compounds in drug discovery and …

[PDF][PDF] Effect of atomic size and stereochemistry of halogenated hydantoin derivatives on main protease inhibition activities of SARS-CoV-2: Rationalization through …

A Pal, MD Chordia - Authorea Preprints, 2024 - techrxiv.org
A recent report discovered a chloro-hydantoin lead for COVID-19 antiviral therapy, however,
effects of stereochemical changes of the spiro-cycle and halogens were not examined …