In Silico Identification of New Anti‐SARS‐CoV‐2 Main Protease (Mpro) Molecules with Pharmacokinetic Properties from Natural Sources Using Molecular Dynamics …
H Onyango, P Odhiambo, D Angwenyi… - Journal of Tropical …, 2022 - Wiley Online Library
Infectious agents such as SARS‐CoV, MERS‐CoV, and SARS‐CoV‐2 have emerged in
recent years causing epidemics with high mortality rates. The quick development of novel …
recent years causing epidemics with high mortality rates. The quick development of novel …
Identification of novel potential inhibitors of monkeypox virus thymidine kinase using molecular docking, molecular dynamics simulation and MM/PBSA methods
T Abdizadeh - Molecular Diversity, 2024 - Springer
The monkeypox spread has been announced a public health emergency of international
concern (PHEIC) by the World Health Organization (WHO). Both monkeypox and smallpox …
concern (PHEIC) by the World Health Organization (WHO). Both monkeypox and smallpox …
[HTML][HTML] Targeting the Cyclin-Dependent Kinase Family in Anticancer Drug Discovery: From Computational to Experimental Studies
Uncontrolled cell proliferation, primarily regulated by cyclin-dependent kinases (CDKs), is a
critical driver of cancer progression, with dysregulation of CDKs contributing to various …
critical driver of cancer progression, with dysregulation of CDKs contributing to various …
Identification of novel CDK 4/6 inhibitors by high-throughput virtual screening
A Debnath, R Mazumder - Letters in Drug Design & Discovery, 2024 - benthamdirect.com
Background CDK4/6 plays a crucial role in regulating cell proliferation, and inhibiting this
kinase can effectively prevent the initiation of cell growth and division. However, current FDA …
kinase can effectively prevent the initiation of cell growth and division. However, current FDA …
[HTML][HTML] Cowpea bean β-vignin-derived AQQSY peptide exerts an anticancer effect by inducing cell cycle arrest in the G0/G1 phase and modulating apoptotic signals
BO Philadelpho, JEM dos Santos, EE Davis… - Journal of Functional …, 2024 - Elsevier
The anticancer effect of digested β-vignin and pure peptides from cowpea beans was
investigated in cultivated human colon cancer cells. The effect of AQQSY on the cell cycle …
investigated in cultivated human colon cancer cells. The effect of AQQSY on the cell cycle …
The novel selective inhibitors of cyclin-dependent kinase 4/6: in vitro and in silico study
One of the main regulators in the cell cycle is cyclin-dependent kinase 4 and 6 (CDK4/6).
FDA has approved CDK4/6 inhibitors for the treatment of patients with metastatic breast …
FDA has approved CDK4/6 inhibitors for the treatment of patients with metastatic breast …
Identification of potentially high drug-like VEGFR2/c-Met dual-target type II kinase inhibitors with symmetric skeletons based on structural screening
J Xie, X Zhang, D Meng, Y Li, P Deng - Journal of Biomolecular …, 2024 - Taylor & Francis
Vascular endothelial growth factor receptor 2 (VEGFR2) and c-Mesenchymal epithelial
transition factor (c-Met) are tyrosine kinase receptors associated with the occurrence of …
transition factor (c-Met) are tyrosine kinase receptors associated with the occurrence of …
Investigation of a set of flavonoid compounds as Helicobacter pylori urease inhibitors: insights from in silico studies
GS Asadi, R Abdizadeh… - Journal of Biomolecular …, 2023 - Taylor & Francis
Helicobacter pylori (H. pylori) is a spiral, microaerophilic gram-negative bacterium, which is
associated with the destruction of the lining of the stomach, leads to chronic inflammation of …
associated with the destruction of the lining of the stomach, leads to chronic inflammation of …
Inhibitory potential of furanocoumarins against cyclin dependent kinase 4 using integrated docking, molecular dynamics and ONIOM methods
Abstract Cyclin Dependent Kinase 4 (CDK4) is vital in the process of cell-cycle and serves
as a G1 phase checkpoint in cell division. Selective antagonists of CDK4 which are in use as …
as a G1 phase checkpoint in cell division. Selective antagonists of CDK4 which are in use as …
Functional characterization and structural prediction of hypothetical proteins in monkeypox virus and identification of potential inhibitors
The excessive activation of the monkeypox virus (MPXV-Congo_8-156) is linked to various
skin and respiratory disorders such as rashes, fluid-filled blisters, swollen lymph nodes and …
skin and respiratory disorders such as rashes, fluid-filled blisters, swollen lymph nodes and …