Abstract
This study describes screening of muscarinic acetylcholine receptors (mAChR) antagonist by pharmacophore modeling and optimization by molecular docking. A series of molecules was synthesized and evaluated for preliminary pharmacological activity on rat ileum. A molecule based on benzonitrile piperazine scaffold showed good tissue relaxation and blocking of neurotransmitter ACh in the ex vivo experiment.
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Acknowledgements
This manuscript is assigned DRDE accession no. DRDE/SC/002/2018. We thank Director, DRDE, Gwalior for his keen interest and encouragement in the present work. The authors thank Ms. Tara Yadav for characterizing the synthesized molecules.
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Ghorpade, R., Kumar, D., Nayak, S. et al. Design and synthesis of muscarinic acetylcholine receptor (mAChR) antagonist: pharmacophore-based screening and structure-based optimization. Monatsh Chem 150, 1335–1347 (2019). https://doi.org/10.1007/s00706-019-02442-2
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DOI: https://doi.org/10.1007/s00706-019-02442-2