Anticancer activity, DFT calculation, ADMET study and molecular docking of synthetic Chalcone (2E)-1-(4-Aminophenyl)-3-(3, 4, 5-trimethoxyphenyl)-2-propen-1-one …

A Patel, P Patel, S Sharma - Journal of Molecular Structure, 2025 - Elsevier
Abstract The (2E)-1-(4-Aminophenyl)-3-(3, 4, 5-trimethoxyphenyl)-2-propen-1-one was
prepared by the reaction between 4-aminoacetophenone and 3, 4, 5, trimethoxy …

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 …

Investigation of Anticancer Properties of 2-benzylidene-1-indanone and Its Derivatives by DFT and Molecular Docking

CA Yıldız, S Erkan - Turkish Computational and Theoretical …, 2024 - dergipark.org.tr
In this study, 2-benzylidene-1-indanone and its derivatives, which is a chalcone compound
and contains indanone in its structure, were examined. Quantum chemical parameters for …

Design, synthesis and molecular modeling studies of few chalcone analogues of benzimidazole for epidermal growth factor receptor inhibitor in search of useful …

SS Chhajed, SS Sonawane, CD Upasani… - … Biology and Chemistry, 2016 - Elsevier
In the present investigation, few 3-(substitutedphenyl)-1-[2-(1-hydroxy-ethyl)]-1H-
benzimidazol-1-yl) prop-2-en-1-ones are EGFR antagonist are designed, by molecular …

Single crystal XRD, DFT investigations and molecular docking study of 2-((1, 5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl) amino) naphthalene-1, 4-dione …

KR PR, YS Mary, A Fernandez, YS Mary… - … Biology and Chemistry, 2019 - Elsevier
Abstract A derivative of naphthaquinone, 2-((1, 5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-
pyrazol-4-yl) amino) naphthalene-1, 4-dione (DPDHN) was synthesized from lawsone by …

[PDF][PDF] Design, synthesis and molecular docking study of N-heterocyclic chalcone derivatives as an anti-cancer agents

B Fegade, S Jadhav - … Journal of Pharmaceutical Sciences and Drug …, 2022 - academia.edu
Worldwide cancer is the most prevalent disease which causes severe health problems and
excruciating side effects produced by chemotherapy and radiation-like treatment …

[HTML][HTML] Molecular docking based screening of novel designed chalcone series of compounds for their anti-cancer activity targeting EGFR kinase domain

CMMP Rao, RP Yejella, RSA Rehman, SH Basha - Bioinformation, 2015 - ncbi.nlm.nih.gov
Epidermal growth factor receptors (EGFR) are critical for the growth of many tumors and
expressed at high levels in about one third of epithelial cancers. Hence, blockade of the …

Design, synthesis, molecular modeling, and biological evaluations of novel chalcone based 4-Nitroacetophenone derivatives as potent anticancer agents targeting …

SA Mir, N Murmu, RK Meher, I Baitharu… - Journal of …, 2024 - Taylor & Francis
A series of chalcone-based 4-Nitroacetophenone derivatives were designed and
synthesized by the single-step condensation method. These compounds were identified by …

[PDF][PDF] Insight on the in silico study and biological activity assay of chalcone-based 1, 5-benzothiazepines as potential inhibitor for breast cancer MCF7. CMUJ

N Frimayanti, M Yaeghoobi, I Ikhtiarudin, DRW Putri… - Nat. Sci, 2021 - thaiscience.info
In silico study was performed to twelve 1, 5-benzothiazepine chalcone derivatives with the
protein target from the crystallographic structure modeling of the enzyme tyrosine kinase …

Computational and molecular docking studies of new benzene sulfonamide drugs with anticancer and antioxidant effects

HS Mohamed, MA Abdelgawad… - Current Organic …, 2023 - ingentaconnect.com
Background: The studies on the potential usage of benzene sulfonamide derivatives as
anticancer agents are limited. benzene sulfonamide derivatives are currently used as …