Kinase inhibitors: the road ahead

FM Ferguson, NS Gray - Nature reviews Drug discovery, 2018 - nature.com
Receptor tyrosine kinase signalling pathways have been successfully targeted to inhibit
proliferation and angiogenesis for cancer therapy. However, kinase deregulation has been …

Structure-based virtual screening for ligands of G protein–coupled receptors: what can molecular docking do for you?

F Ballante, AJ Kooistra, S Kampen, C de Graaf… - Pharmacological …, 2021 - Elsevier
G protein–coupled receptors (GPCRs) constitute the largest family of membrane proteins in
the human genome and are important therapeutic targets. During the last decade, the …

Unexplored therapeutic opportunities in the human genome

TI Oprea, CG Bologa, S Brunak, A Campbell… - Nature reviews Drug …, 2018 - nature.com
A large proportion of biomedical research and the development of therapeutics is focused
on a small fraction of the human genome. In a strategic effort to map the knowledge gaps …

Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1

S Peng, W Xiao, D Ju, B Sun, N Hou, Q Liu… - Science Translational …, 2019 - science.org
Recent studies have established the involvement of the fat mass and obesity-associated
gene (FTO) in metabolic disorders such as obesity and diabetes. However, the precise …

Virtual screening strategies in drug discovery: a critical review

A Lavecchia, C Di Giovanni - Current medicinal chemistry, 2013 - ingentaconnect.com
Virtual screening (VS) is a powerful technique for identifying hit molecules as starting points
for medicinal chemistry. The number of methods and softwares which use the ligand and …

Nonantimicrobial actions of macrolides: overview and perspectives for future development

JA Kricker, CP Page, FR Gardarsson… - Pharmacological …, 2021 - Elsevier
Macrolides are among the most widely prescribed broad spectrum antibacterials, particularly
for respiratory infections. It is now recognized that these drugs, in particular azithromycin …

Tetrazoles as anticancer agents: A review on synthetic strategies, mechanism of action and SAR studies

N Dhiman, K Kaur, V Jaitak - Bioorganic & Medicinal Chemistry, 2020 - Elsevier
Cancer is a leading cause of death worldwide. Even after the availability of numerous drugs
and treatments in the market, scientists and researchers are focusing on new therapies …

Drug repositioning by structure-based virtual screening

DL Ma, DSH Chan, CH Leung - Chemical Society Reviews, 2013 - pubs.rsc.org
Approved drugs have favourable or validated pharmacokinetic properties and toxicological
profiles, and the repositioning of existing drugs for new indications can potentially avoid …

Structural analysis of chemokine receptor–ligand interactions

M Arimont, SL Sun, R Leurs, M Smit… - Journal of medicinal …, 2017 - ACS Publications
This review focuses on the construction and application of structural chemokine receptor
models for the elucidation of molecular determinants of chemokine receptor modulation and …

Hierarchical virtual screening approaches in small molecule drug discovery

A Kumar, KYJ Zhang - Methods, 2015 - Elsevier
Virtual screening has played a significant role in the discovery of small molecule inhibitors of
therapeutic targets in last two decades. Various ligand and structure-based virtual screening …