Functional analysis of repositioned anilide derivatives as anticancer compounds |
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Authors: | Mala Parab Saliha S Pathan Ramanpreet Kaur Panesar Santosh S Chhajed Debjani Dasgupta Pramodkumar P Gupta |
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Institution: | 1. School of Biotechnology and Bioinformatics, D Y Patil Deemed to be University, Navi Mumbai, Maharashtra, India;2. Department of Pharmaceutical Chemistry, Bhujbal Knowledge City, MET''s Institute of Pharmacy Adgaon, Nashik, Maharashtra, India |
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Abstract: | Off the different types cancers 40% of the population have been observed to be affected by leukemia. Contemporary therapeutics is focusing on generation of new synthetic analogues that can exert maximum positive physiological effect with minimum dosage and negligible deleterious side effects. New generation pharmacists are focusing on such promising effects of Imatinib (a potential anti-cancer drug molecule), Dasatinib, Pelitinib and Nilotinib. The present research study focuses on novel synthesized anilides derivative against BCR-ABL kinase as potential anti-leukemic agent. Validation of the compounds by molecular docking with specific BCR-ABL kinase confirmed their activity. Toxicity prediction of these compounds helped to identify sustainability as therapeutic molecules. The IC50 values were calculated (211 ug, 175 ug, 272ug for compounds A, B, C resp.) and the mode of cell death was gauged by DNA laddering assay. The cells were observed to be induced for programmed cell death. By validating and in-vivo testing of three synthesized compounds, the compound B was observed to be more stable thermodynamically with a potentially vital active site and appears to be a promising anti-leukemic factor. The present research thus lays a preliminary platform in world of pharmaceutics, where these new analogues appear to be efficient, target specific and less toxic molecules. |
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Keywords: | BCR-ABL kinase Chronic myeloid leukemia Molecular docking Apoptosis K562 ?cells |
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