Relative binding free energy calculations in drug discovery: recent advances and practical considerations
Accurate in silico prediction of protein–ligand binding affinities has been a primary objective
of structure-based drug design for decades due to the putative value it would bring to the …
of structure-based drug design for decades due to the putative value it would bring to the …
Microtubule-targeting agents: strategies to hijack the cytoskeleton
MO Steinmetz, AE Prota - Trends in cell biology, 2018 - cell.com
Microtubule-targeting agents (MTAs) such as paclitaxel and the vinca alkaloids are among
the most important medical weapons available to combat cancer. MTAs interfere with …
the most important medical weapons available to combat cancer. MTAs interfere with …
[HTML][HTML] Target-based anticancer indole derivatives and insight into structure‒activity relationship: A mechanistic review update (2018–2021)
A Dhiman, R Sharma, RK Singh - Acta Pharmaceutica Sinica B, 2022 - Elsevier
Cancer, which is the uncontrolled growth of cells, is the second leading cause of death after
heart disease. Targeting drugs, especially to specific genes and proteins involved in growth …
heart disease. Targeting drugs, especially to specific genes and proteins involved in growth …
Selective Transfer Semihydrogenation of Alkynes with H2O (D2O) as the H (D) Source over a Pd‐P Cathode
We reported a selective semihydrogenation (deuteration) of numerous terminal and internal
alkynes using H2O (D2O) as the H (D) source over a Pd‐P alloy cathode at a lower …
alkynes using H2O (D2O) as the H (D) source over a Pd‐P alloy cathode at a lower …
Iron-catalysed reductive cross-coupling of glycosyl radicals for the stereoselective synthesis of C-glycosides
Stereochemically defined C-glycosides are prized for their biological activity. Developing a
catalytic method that comprises non-precious metals to synthesize these C-glycosides …
catalytic method that comprises non-precious metals to synthesize these C-glycosides …
More than resveratrol: New insights into stilbene-based compounds
P Pecyna, J Wargula, M Murias, M Kucinska - Biomolecules, 2020 - mdpi.com
The concept of a scaffold concerns many aspects at different steps on the drug development
path. In medicinal chemistry, the choice of relevant “drug-likeness” scaffold is a starting point …
path. In medicinal chemistry, the choice of relevant “drug-likeness” scaffold is a starting point …
Molecular interactions at the colchicine binding site in tubulin: An X-ray crystallography perspective
Highlights•Colchicine binding site inhibitors (CBSIs) emerge as new generations of tubulin
inhibitors.•CBSIs are less susceptible to multidrug resistance than FDA-approved tubulin …
inhibitors.•CBSIs are less susceptible to multidrug resistance than FDA-approved tubulin …
Discovery of novel benzimidazole and indazole analogues as tubulin polymerization inhibitors with potent anticancer activities
Y Ren, Y Wang, G Li, Z Zhang, L Ma… - Journal of Medicinal …, 2021 - ACS Publications
Novel indazole and benzimidazole analogues were designed and synthesized as tubulin
inhibitors with potent antiproliferative activities. Among them, compound 12b exhibited the …
inhibitors with potent antiproliferative activities. Among them, compound 12b exhibited the …
Colchicine-binding site inhibitors from chemistry to clinic: a review
EC McLoughlin, NM O'Boyle - Pharmaceuticals, 2020 - mdpi.com
It is over 50 years since the discovery of microtubules, and they have become one of the
most important drug targets for anti-cancer therapies. Microtubules are predominantly …
most important drug targets for anti-cancer therapies. Microtubules are predominantly …
Upconverting nanocarriers enable triggered microtubule inhibition and concurrent ferroptosis induction for selective treatment of triple-negative breast cancer
J Zhu, P Dai, F Liu, Y Li, Y Qin, Q Yang, R Tian… - Nano …, 2020 - ACS Publications
Despite the resistance of triple-negative breast cancer (TNBC) to targeted hormone therapy,
the discovery of azobenzene combretastatin A4 (Azo-CA4) provides therapeutic …
the discovery of azobenzene combretastatin A4 (Azo-CA4) provides therapeutic …