Polypharmacology: challenges and opportunities in drug discovery: miniperspective
A Anighoro, J Bajorath, G Rastelli - Journal of medicinal chemistry, 2014 - ACS Publications
At present, the legendary magic bullet, ie, a drug with high potency and selectivity toward a
specific biological target, shares the spotlight with an emerging and alternative …
specific biological target, shares the spotlight with an emerging and alternative …
[HTML][HTML] Structural features of the protein kinase domain and targeted binding by small-molecule inhibitors
C Arter, L Trask, S Ward, S Yeoh, R Bayliss - Journal of Biological …, 2022 - ASBMB
Protein kinases are key components in cellular signaling pathways as they carry out the
phosphorylation of proteins, primarily on Ser, Thr, and Tyr residues. The catalytic activity of …
phosphorylation of proteins, primarily on Ser, Thr, and Tyr residues. The catalytic activity of …
[HTML][HTML] Structure and physiological regulation of AMPK
Adenosine monophosphate (AMP)-activated protein kinase (AMPK) is a heterotrimeric αβγ
complex that functions as a central regulator of energy homeostasis. Energy stress manifests …
complex that functions as a central regulator of energy homeostasis. Energy stress manifests …
Design principles for fragment libraries: maximizing the value of learnings from pharma fragment-based drug discovery (FBDD) programs for use in academia
GM Keserű, DA Erlanson, GG Ferenczy… - Journal of medicinal …, 2016 - ACS Publications
Fragment-based drug discovery (FBDD) is well suited for discovering both drug leads and
chemical probes of protein function; it can cover broad swaths of chemical space and allows …
chemical probes of protein function; it can cover broad swaths of chemical space and allows …
[HTML][HTML] Structural insight and development of EGFR tyrosine kinase inhibitors
T Amelia, RE Kartasasmita, T Ohwada, DH Tjahjono - Molecules, 2022 - mdpi.com
Lung cancer has a high prevalence, with a growing number of new cases and mortality
every year. Furthermore, the survival rate of patients with non-small-cell lung carcinoma …
every year. Furthermore, the survival rate of patients with non-small-cell lung carcinoma …
Drugs for allosteric sites on receptors
The presence of druggable, topographically distinct allosteric sites on a wide range of
receptor families has offered new paradigms for small molecules to modulate receptor …
receptor families has offered new paradigms for small molecules to modulate receptor …
Strategies for the selective regulation of kinases with allosteric modulators: exploiting exclusive structural features
Z Fang, C Grütter, D Rauh - ACS chemical biology, 2013 - ACS Publications
The modulation of kinase function has become an important goal in modern drug discovery
and chemical biology research. In cancer-targeted therapies, kinase inhibitors have been …
and chemical biology research. In cancer-targeted therapies, kinase inhibitors have been …
Harnessing reversed allosteric communication: a novel strategy for allosteric drug discovery
J Fan, Y Liu, R Kong, D Ni, Z Yu, S Lu… - Journal of Medicinal …, 2021 - ACS Publications
Allostery is a fundamental and extensive mechanism of intramolecular signal transmission.
Allosteric drugs possess several unique pharmacological advantages over traditional …
Allosteric drugs possess several unique pharmacological advantages over traditional …
[HTML][HTML] Untangling dual-targeting therapeutic mechanism of epidermal growth factor receptor (EGFR) based on reversed allosteric communication
Y Qiu, X Yin, X Li, Y Wang, Q Fu, R Huang, S Lu - Pharmaceutics, 2021 - mdpi.com
Dual-targeting therapeutics by coadministration of allosteric and orthosteric drugs is drawing
increased attention as a revolutionary strategy for overcoming the drug-resistance problems …
increased attention as a revolutionary strategy for overcoming the drug-resistance problems …
Targeting Self-Binding Peptides as a Novel Strategy To Regulate Protein Activity and Function: A Case Study on the Proto-oncogene Tyrosine Protein Kinase c-Src
Previously, we have reported a new biomolecular phenomenon spanning between protein
folding and binding, termed as self-binding peptides (SBPs), where a short peptide segment …
folding and binding, termed as self-binding peptides (SBPs), where a short peptide segment …