Construction and validation of pharmacophore model of calcitonin gene-related peptide receptor antagonists using ligand- and structure-based approaches. (PubMed, J Mol Model) - Oct 14, 2026 - "The distances between the pharmacophore elements were measured; among the 21 molecules, only five molecules (3, HTL0022562, BMS-694153, 19, and BMS-846372) possessed slight to moderate deviations...Though the docking score of these novel molecules is less as compared to standard molecules: 6ZHO-lig (-13.6 kcal/mol) and as Zavegepant (-11.3 kcal/mol)...The best docked molecules were further tested for stability studies using the Desmond tool. For pharmacokinetic studies, the SwissADME tool was used."
Journal • CNS Disorders • Migraine • Pain
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Pawan Gupta; Punniyakoti Veeraveedu Thanikachalam; Shvetank Bhatt; Thangaraj Devadoss
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