Chalcone: a promising bioactive scaffold in medicinal chemistry
G Rajendran, D Bhanu, B Aruchamy, P Ramani… - Pharmaceuticals, 2022 - mdpi.com
Chalcones are a class of privileged scaffolds with high medicinal significance due to the
presence of an α, β-unsaturated ketone functionality. Numerous functional modifications of …
presence of an α, β-unsaturated ketone functionality. Numerous functional modifications of …
Computational investigation of Moringa oleifera phytochemicals targeting EGFR: molecular docking, molecular dynamics simulation and density functional theory …
MA Yousaf, SA Anwer, S Basheera… - Journal of Biomolecular …, 2024 - Taylor & Francis
Epidermal growth factor receptor (EGFR) is a prominent target for anticancer therapy due to
its role in activating several cell signaling cascades. Clinically approved EGFR inhibitors are …
its role in activating several cell signaling cascades. Clinically approved EGFR inhibitors are …
K-means clustering analysis, ADME/pharmacokinetic prediction, MEP, and molecular docking studies of potential cytotoxic agents
In this paper, a combined approach based on a k-means algorithm and statistical analysis
has been applied successfully to classify 500 cytotoxic agents using 21 molecular …
has been applied successfully to classify 500 cytotoxic agents using 21 molecular …
Synthesis, crystal structure and molecular docking study of new monastrol analogues as inhibitors of epidermal growth factor receptor tyrosine kinase
SS Wazalwar, AR Banpurkar, F Perdih - Journal of Molecular Structure, 2023 - Elsevier
New dihydropyrimidone scaffolds were synthesized by Biginelli reaction aiming minor
structural modifications of anti-cancer drug monastrol. The benzaldehyde part was chosen …
structural modifications of anti-cancer drug monastrol. The benzaldehyde part was chosen …
Insights and modelling on the nonlinear optical response, reactivity, and structure of chalcones and dihydrochalcones
T Andrade-Filho, T Silva, E Belo, A Raiol… - Journal of Molecular …, 2021 - Elsevier
For the first time, it is performed a discussion on the structure, reactivity, and nonlinear
optical (NLO) response of new metabolites dihydrochalcone (4), 3, 4, 5-trimethoxychalcone …
optical (NLO) response of new metabolites dihydrochalcone (4), 3, 4, 5-trimethoxychalcone …
Design, In Silico Molecular Docking, and ADMET Prediction of Amide Derivatives of Chalcone Nucleus as EGFR Inhibitors for the Treatment of Cancer
S Patil, V Randive, I Mahadik… - Current Drug Discovery …, 2024 - ingentaconnect.com
Background: Cancer is a devastating disease. Many studies have shown that the primary
causes of the aggressive and resistant types of cancer are the overexpression of receptors …
causes of the aggressive and resistant types of cancer are the overexpression of receptors …
Molecular docking of the pentapeptide derived from rice bran protein as anticancer agent inhibiting both receptor and non-receptor tyrosine kinases
Abstract The cationic pentapeptide Glu-Gln-Arg-Pro-Arg (EQRPR) belongs to the family of
anti-cancer peptides with significant anti-cancer activity. However, the mechanism by which …
anti-cancer peptides with significant anti-cancer activity. However, the mechanism by which …