J Herbmed Pharmacol. 2021;10(4): 443-458. doi: 10.34172/jhp.2021.52

Original Article

Two new flavonoids and anticancer activity of Hymenosporum flavum: in vitro and molecular docking studies

Rehab Fikry Taher 1 * ORCID, Ahmed A. Al-Karmalawy 2 ORCID, Ahmed I. Abd El Maksoud 3 ORCID, Hany Khalil 4 ORCID, Amr Hassan 5 ORCID, Ezzel-Din A. El-Khrisy 1 ORCID, Walaa El-Kashak 1 ORCID

Cited by CrossRef: 40

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19- Raghunath Khedkar N, Sindkhedkar M, Joseph A. Computational Design, Synthesis, and Bioevaluation of 2-(Pyrimidin-4-yl)oxazole-4-carboxamide Derivatives: Dual Inhibition of EGFRWT and EGFRT790M with ADMET Profiling. Bioorganic Chemistry. 2024;143:107027 [Crossref]
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40- Diab R, Abdel-Sami Z, Abdel-Aal E, Al-Karmalawy A, Abo-Dya N. Design and synthesis of a new series of 3,5-disubstituted-1,2,4-oxadiazoles as potential colchicine binding site inhibitors: antiproliferative activity, molecular docking, and SAR studies. New J Chem. 2021;45(46):21657 [Crossref]