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 …
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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
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 …
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 …
A series of chalcone-based 4-Nitroacetophenone derivatives were designed and
synthesized by the single-step condensation method. These compounds were identified by …
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
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 …
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 …
anticancer agents are limited. benzene sulfonamide derivatives are currently used as …