Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies
Muqudis Fatima, Waseeq Ahmad Siddiqui, M. Iqbal Choudhary, Adnan Ashraf, Shanawer Niaz, Muhammad Asam Raza, Seikh Mafiz Alam, Muhammad Ashfaq, Muhammad Nawaz Tahir, Kholood A. Dahlous
Abstract
DFT optimized geometry, Hirshfeld surface plot, and AChE and BChE docking studies for compound 8.
Topics & Concepts
BenzothiazineChemistryDocking (animal)StereochemistryComputational chemistryOrganic chemistryNursingMedicinePhenothiazines and Benzothiazines Synthesis and ActivitiesSynthesis and Biological EvaluationSynthesis and biological activity