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 …

Novel pyrazolo [3, 4-d] pyrimidines as potential cytotoxic agents: Design, synthesis, molecular docking and CDK2 inhibition

M Maher, AE Kassab, AF Zaher… - Anti-Cancer Agents in …, 2019 - ingentaconnect.com
Roscovitine is one of the first generation CDK inhibitors, ATP … is attributed to CDK1, CDK2
and CDK5 inhibition [11]. It … The molecular modeling study was carried out using Molecular

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 …

Discovery of CDK5 inhibitors through structure-guided approach

NZ Khair, JL Lenjisa, S Tadesse… - ACS Medicinal …, 2019 - ACS Publications
… of active CDK5 protein bound with its ligand roscovitine (… Compound 29 was identified as
the most potent inhibitor with … through SiRNA/shRNA caused apoptosis in cells derived from …

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 …

[HTML][HTML] Computational simulations identified two candidate inhibitors of Cdk5/p25 to abrogate tau-associated neurological disorders

A Zeb, M Son, S Yoon, JH Kim, SJ Park… - Computational and …, 2019 - Elsevier
potent inhibitor of Cdks and obtained low IC 50 value (1 nM) against Cdk5 with higher inhibition
… interaction pattern of Cdk5 and its state-of-the-art inhibitor (R)-roscovitine and identified …

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