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Synthesis,biological evaluation and molecular docking studies of novel 2-(2-cyanophenyl)-N-phenylacetamide derivatives |
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| Authors: | Konidena Lakshmi Narayana Sharma Boda Sathish Kumar Chettu Suresh Kumar Sorra Kumaraswamy Enaganti Sreenivas Mukkavilli Praveena Kameswara Rao N S Anantha Lakshmi P V Korupolu Raghu Babu |
| Institution: | 1.GVK Biosciences Private Limited, Medicinal Chemistry Laboratory, Hyderabad, 500076, India ;2.Andhra University, Department of Engineering Chemistry, Andhra University College of Engineering (A), Visakhapatnam, 530003, India ;3.Department of Chemistry, Osmania University, Tarnaka, Hyderabad, 500007, India ;4.Department of Bioinformatics, Averin Biotech Pvt. Ltd, Windsorplaza, Nallakunta, Hyderabad, 500044, India ;5.Koneru Lakshmaiah Education Foundation, Deemed to be University, Vaddeswaram, Guntur, 522502, India ; |
| Abstract: | A series of novel 2-(2-cyanophenyl)-N-phenylacetamide derivatives 3(a-u) were designed and synthesized via selective amidation of methyl-2-(2-cyanophenyl)acetates over amidine formation by using AlMe3 as catalyst in good yields. All the newly synthesized derivatives were well characterized by 1H NMR, 13C NMR, FTIR and HRMS spectral techniques. All the synthesized title compounds were evaluated for their in vitro anticancer activity against three cancer cell lines. Among all compounds, 3i (IC50?=?1.20 μM, IC50?=?1.10 μM), 3j (IC50?=?0.11 μM, IC50?=?0.18 μM), 3o (IC50?=?0.98 μM, IC50?=?2.76 μM) showed excellent inhibitory activity than the standard Etoposide (IC50?=?2.11 μM, IC50?=?3.08 μM) against MCF-7 and A-549 cell lines, respectively. Docking analysis of all the compounds with the human topoisomerase II revealed that the compound 3j fitted well in the active site pocket, showing the best docking score of 158.072 kcal/mol. |
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