Novel Class of Fluorinated Pyrazolo[1,5‐a]pyrimidines as CDK5 and Bcl2 Inhibitors: Design, Synthesis, Biological Evaluation, Molecular Docking and ADME Studies

M Said Mohamed, Z Atwa Saad… - …, 2023 - Wiley Online Library
… In addition, they are inhibit CDK5 enzyme using roscovitine as a … Molecular modelling and
docking study … Å, the previous theoretical results obtained from molecular docking proved the …

Design, synthesis and antiproliferative evaluation of novel pyrazolo-pyrimidine derivatives with expected cyclin-dependent kinase 2 inhibitory effect

AS Younes, TZ Shawer, H El-Sehrawi - Azhar International Journal …, 2022 - journals.ekb.eg
… SF-539 cell line were obtained with the best results, using Roscovitine as a positive control.
… , but also inhibits CDK5, that is involved in cell migration. This dual effect make Roscovitine a …

A review on cyclin-dependent kinase 5: An emerging drug target for neurodegenerative diseases

S Batra, S Jahan, A Ashraf, B Alharby, T Jawaid… - … Journal of Biological …, 2023 - Elsevier
… of the CDK5 in complex with inhibitor R-Roscovitine. It is a bi-… the most potent inhibitor of the
CDK5/p25 complex with IC 50 … peptide inhibitor of CDK5 composed of 126 residues derived

Design, synthesis, and biological evaluation of dinaciclib and CAN508 hybrids as CDK inhibitors

DM Odeh, HA Allam, F Baselious… - Drug Development …, 2024 - Wiley Online Library
… All of them showed potent inhibition against CDK5/P25 and … of roscovitine stimulated the
discovery of other CDK inhibitors, … as candidates for the molecular modeling study to understand …

Systemic administration of a brain permeable Cdk5 inhibitor alters neurobehavior

A Umfress, S Singh, KJ Ryan, A Chakraborti… - Frontiers in …, 2022 - frontiersin.org
Molecular modeling of 25–106 as compared to another Cdk5 inhibitor, roscovitine, revealed
that 25–… Any product that may be evaluated in this article, or claim that may be made by its …

A new CDK2 inhibitor with 3-hydrazonoindolin-2-one scaffold endowed with anti-breast cancer activity: Design, synthesis, biological evaluation, and in silico insights

MM Al-Sanea, AJ Obaidullah, ME Shaker… - Molecules, 2021 - mdpi.com
… Besides, the small molecule roscovitine (seliciclib) inhibited CDKs 2 and 5 with suspending
… of the HI 5, a potential competitive inhibitor of the CDK2. The obtained results have valuable …

Design and Selection of Novel Kinase Inhibitors Implicated in Alzheimer's Disease by High Throughput Virtual Screening

DS Kumar, S Anoop - Journal of Pharmaceutical …, 2021 - archiv.manuscptsubs.com
Roscovitine, aloisine, and indirubin, the inhibitors disclosed in this study, … as molecular
probes to learn more about CDK5's function in neurodegenerative diseases therapy. We obtained

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