[HTML][HTML] … , in vitro biological assessment and molecular modeling insights for novel 3-(naphthalen-1-yl)-4, 5-dihydropyrazoles as anticancer agents with potential EGFR …

WM Eldehna, MA El Hassab, ZM Elsayed, T Al-Warhi… - Scientific reports, 2022 - nature.com
… The most potent anticancer agents in the current work 9g and 9k were chosen for the
assessment of apoptosis in MDA-MB-231cell line using Annexin V/propidium iodide (PI) double …

Molecular modeling of potential anticancer agents from African medicinal plants

F Ntie-Kang, JN Nwodo, A Ibezim… - … and modeling, 2014 - ACS Publications
… To verify potential binding to anticancer drug targets, the interactions … modeling. Docking
and binding affinity calculations were carried out, in comparison with known anticancer agents

… of indole-grafted pyrazolopyrimidine and pyrazolopyridine derivatives as new anti-cancer agents: Synthesis, biological assessments, and molecular modeling insights

WM Eldehna, HO Tawfik, MH Abdulla, MS Nafie… - Bioorganic …, 2024 - Elsevier
… an anticancer agent. Molecular docking and dynamics simulations provided valuable insights
… Molecular docking and dynamics simulations provided valuable insights into the binding …

Modeling the impact of anticancer agents on metastatic spreading

S Benzekry, N André, A Benabdallah… - … Modelling of Natural …, 2012 - cambridge.org
… In this section, we use the Hahnfeldt - Folkman model to give insights on this topic, and …
We illustrated through numerical simulations how our models could be used to give insights

[HTML][HTML] New Imidazole-Based N-Phenylbenzamide Derivatives as Potential Anticancer Agents: Key Computational Insights

MS Malik, RI Alsantali, QMS Jamal, ZS Seddigi… - Frontiers in …, 2022 - frontiersin.org
… of the derivatives showed unique insights, and all of the … The present study offers valuable
insights and a good starting … development of these useful potential anticancer agents. …

Network pharmacology strategies toward multi-target anticancer therapies: from computational models to experimental design principles

J Tang, T Aittokallio - Current pharmaceutical design, 2014 - ingentaconnect.com
… provide invaluable additional insights into the models of cancer progression and treatment.
In theory, these concepts can address the fundamental challenges of anticancer therapy by …

Drug insight: histone deacetylase inhibitors—development of the new targeted anticancer agent suberoylanilide hydroxamic acid

WK Kelly, PA Marks - Nature Clinical Practice Oncology, 2005 - nature.com
… I HDAC inhibitors may lead to more effective anticancer agents than the pan-HDAC inhibitors
models bearing either solid tumors or hematologic malignancies. The solid tumor models

[HTML][HTML] 1-Benzyl-5-bromo-3-hydrazonoindolin-2-ones as novel anticancer agents: Synthesis, biological evaluation and molecular modeling insights

T Al-Warhi, H Almahli, RM Maklad, ZM Elsayed… - Molecules, 2023 - mdpi.com
Human health is experiencing several obstacles in the modern medical era, particularly
cancer. As a result, the cancer therapeutic arsenal should be continually expanded with …

Binding analysis and structure-based design of tricyclic coumarin-derived MTHFD2 inhibitors as anticancer agents: insights from computational modeling

V Jha, FL Holmelin, LA Eriksson - ACS omega, 2023 - ACS Publications
Unfolded protein response (UPR)-dependent metabolic reprogramming diverts metabolites
from glycolysis to mitochondrial 1C metabolism, highlighting pharmacological resistance to …

Structural insights of oxindole based kinase inhibitors as anticancer agents: Recent advances

P Dhokne, AP Sakla, N Shankaraiah - European journal of medicinal …, 2021 - Elsevier
Small-molecule kinase inhibitors are being continuously explored as new anticancer therapeutics.
Kinases are the phosphorylating enzymes which regulate numerous cellular functions …