Design,Synthesis, and Docking Study of Quinine-9-Triazolyl Conjugates |
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Authors: | Priyanka Bose Dr Mala Singh Dr Anoop S Singh Manoj K Jaiswal Prof Dr Vinod K Tiwari |
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Institution: | 1. Department of Chemistry, Institute of Science, Banaras Hindu University, UP-221005 Varanasi, India;2. Department of Chemistry, Institute of Science, Banaras Hindu University, UP-221005 Varanasi, India
Chemistry Innovation Research Center, Jubilant Biosys Ltd., 201310 Greater Noida, Uttar Pradesh, India |
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Abstract: | To develop a better chemotherapeutically potential candidate for lung cancer treatment and cure with repurposed motifs, quinine has been linked with biocompatible CuAAC-inspired regioselective 1,2,3-triazole linker and a series of ten novel 1,2,3-triazolyl-9-quinine conjugates have been developed by utilizing click conjugation of glycosyl ether alkynes with 9-epi-9-azido-9-deoxy-quinine under standard click conditions. In parallel, the docking study indicated that the resulting conjugates have an overall appreciable interaction with ALK-5 macromolecules. Moreover, the mannose-triazolyl conjugate exhibited the highest binding interactions of −7.6 kcal/mol with H-bond interaction with the targeted macromolecular system and indicate the hope for future trials for anti-lung cancer candidates. |
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Keywords: | click chemistry docking study glycoconjugates quinine triazole |
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