Advances in synthesis and biological evaluation of CDK2 inhibitors for cancer therapy

DA Patel, SS Patel, HD Patel - Bioorganic Chemistry, 2023 - Elsevier
… been made in identifying potent, targeted, and efficient inhibitors … as strong inhibitors by
combining pharmacophore groups of … code 5L2W) and CDK5 and roscovitine (PDB code 1UNL) …

Computational Studies of Interactions of Small Molecules with their Biological Targets

M Nekardová - 2020 - dspace.cuni.cz
… The pan-selective purine CDK inhibitor roscovitine, which … modification, we employed
molecular modeling. We applied the … In contrast, the most potent inhibitors of the series (IC50 = 2−…

[PDF][PDF] A molecular dynamics study of AZD4573 and Roscovitine as two potent inhibitors of cyclin dependent kinase 9

H Siyar, H Mamad, S Benkirane, A MASRAR - researchgate.net
… the molecular interactions of two drug candidates. AZD4573 is a potent inhibitor of CDK9[13]
inducing fast apoptosis across different hematological cancer model patient-derived

Natural analogues inhibiting selective cyclin-dependent kinase protein isoforms: a computational perspective

R Singh, V Bhardwaj, P Das… - Journal of Biomolecular …, 2020 - Taylor & Francis
Roscovitine from the crystal structure (CDK2-Roscovitine: 2A4L… , CDK5, CDK7, and CDK9)
and docked with Roscovitine (… The affinity of different potent inhibitors for CDK isoforms was …

[HTML][HTML] Cellular and molecular mechanisms of R/S-roscovitine and CDKs related inhibition under both focal and global cerebral ischemia: a focus on neurovascular …

L Le Roy, A Letondor, C Le Roux, A Amara, S Timsit - Cells, 2021 - mdpi.com
… of (S)-roscovitine was at least partly due to CDK5 inhibition. (S)-roscovitine neuroprotective
… plasticity by increasing BDNF (brain-derived neurotrophic factor) protein level in the …

[HTML][HTML] “Dual Anta-Inhibitors” of the A2A Adenosine Receptor and Casein Kinase CK1delta: Synthesis, Biological Evaluation, and Molecular Modeling Studies

A Spinaci, M Buccioni, D Catarzi, C Cui, V Colotta… - Pharmaceuticals, 2023 - mdpi.com
… in a potent CK1δ/ε inhibitor with an IC 50 value of 14 nM, that was also able to inhibit CDK5
(… Looking at the poses obtained for the molecule of our series on the A 1 AR, A 2A AR, and A …

… } Dual Anta-Inhibitors {\textquotedblright} of the A2A Adenosine Receptor and Casein Kinase {CK} 1delta: Synthesis, Biological Evaluation, and Molecular Modeling …

S Andrea, B Michela, C Daniela, C Chang… - …, 2023 - research.unipd.it
… in a potent CK1δ/ε inhibitor with an IC50 value of 14 nM, that was also able to inhibit CDK5
(IC50 … Looking at the poses obtained for the molecule of our series on the A1AR, A2AAR, and …

Discovery and optimization of highly selective inhibitors of CDK5

MH Daniels, G Malojcic, SL Clugston… - Journal of Medicinal …, 2022 - ACS Publications
inhibition of CDK5 has been achieved using peptides derived from p35, and these molecules
have … (29−31) However, no small molecules have been disclosed to date that spare the …

… -alkyl-3-indolylmethylene) hydrazono] oxindoles arrest cell cycle and induce cell apoptosis by inhibiting CDK2 and Bcl-2: synthesis, biological evaluation and in silico …

T Al-Warhi, MF Abo-Ashour, H Almahli… - … of enzyme inhibition …, 2020 - Taylor & Francis
… a potent inhibition against CDK1, CDK2, and CDK5 with IC 50 s … potent inhibition for CDK2
as shown in SU9516 which … obtained results were presented as percent growth inhibition (GI …

Novel oxindole/benzofuran hybrids as potential dual CDK2/GSK-3β inhibitors targeting breast cancer: design, synthesis, biological evaluation, and in silico studies

WM Eldehna, ST Al-Rashood, T Al-Warhi… - … of Enzyme Inhibition …, 2021 - Taylor & Francis
Molecular docking study All the molecular modelling simulations were performed using
Molecular Operating Environment (MOE, 2010.10) software. All minimizations were carried out …