Computational Exploration of Anti-cancer Potential of Flavonoids against Cyclin-Dependent Kinase 8: An In Silico Molecular Docking and Dynamic Approach

S Rathod, K Shinde, J Porlekar, P Choudhari… - ACS …, 2022 - ACS Publications
Over the centuries, cancer has been considered one of the significant health threats. It holds
the position in the list of deadliest diseases over the globe. In women, breast cancer is the …

Amygdalin as multi-target anticancer drug against targets of cell division cycle: Double docking and molecular dynamics simulation

K Al-Khafaji, T Taskin Tok - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
Cell-division protein kinases (CDKs) are gorgeous examples of targets for the helpful
treatment of cancer by using multi-target inhibitors. Specifically, targeting cell-division …

Ellagic acid controls cell proliferation and induces apoptosis in breast cancer cells via inhibition of cyclin-dependent kinase 6

M Yousuf, A Shamsi, P Khan, M Shahbaaz… - International journal of …, 2020 - mdpi.com
Cyclin-Dependent Kinase 6 (CDK6) plays an important role in cancer progression, and thus,
it is considered as an attractive drug target in anticancer therapeutics. This study presents an …

An in silico exploration of the interaction mechanism of pyrazolo [1, 5-a] pyrimidine type CDK2 inhibitors

Y Li, W Gao, F Li, J Wang, J Zhang, Y Yang… - Molecular …, 2013 - pubs.rsc.org
CDK2, which interacts with cyclin A and cyclin E, is an important member of the CDK family.
Having been proved to be associated with many diseases for its vital role in cell cycle, CDK2 …

Insights into molecular docking and dynamics to reveal therapeutic potential of natural compounds against P53 protein

BA Malla, A Ali, I Maqbool, NA Dar… - Journal of …, 2023 - Taylor & Francis
P53 is eminent tumour suppressor protein that plays a prominent role in cell cycle arrest,
DNA repair, senescence, differentiation and initiation of apoptosis. P53 is an attractive drug …

Screening and analysis of bioactive food compounds for modulating the CDK2 protein for cell cycle arrest: Multi-cheminformatics approaches for anticancer …

S Bhowmick, NA AlFaris, JZ ALTamimi… - Journal of Molecular …, 2020 - Elsevier
Abstract The cyclin-dependent kinase-2 (CDK2) belongs to the protein kinase family and its
overexpression leads to an unusual regulation of cell-cycle which directly linked with …

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

R Singh, V Bhardwaj, P Das… - Journal of Biomolecular …, 2020 - Taylor & Francis
Cyclin-dependent kinases (CDKs) are known for their vital role in regulating cell cycle
progression through protein-kinase interactions. CDKs also help in regulating transcription …

4-Bromo-4'-chloro pyrazoline analog of curcumin augmented anticancer activity against human cervical cancer, HeLa cells: in silico-guided analysis, synthesis, and in …

M Chaudhary, N Kumar, A Baldi… - Journal of …, 2020 - Taylor & Francis
Inspired by the synergistic effects of hetero-aromatic scaffolds on curcumin, a novel array of
pyrazoline substituted curcumin analogs was designed. Multi-scale computational studies …

Virtual screening, pharmacokinetics, molecular dynamics and binding free energy analysis for small natural molecules against cyclin-dependent kinase 5 for …

R Shukla, TR Singh - Journal of Biomolecular Structure and …, 2020 - Taylor & Francis
Alzheimer's disease (AD) is a progressive neurodegenerative disorder and characterized by
brain cell death, memory loss and is the most common form of dementia. Although AD has …

Bioactive phytoconstituents as potent inhibitors of casein kinase-2: dual implications in cancer and COVID-19 therapeutics

F Anjum, MN Sulaimani, A Shafie, T Mohammad… - RSC …, 2022 - pubs.rsc.org
Casein kinase 2 (CK2) is a conserved serine/threonine-protein kinase involved in
hematopoietic cell survival, cell cycle control, DNA repair, and other cellular processes. It …