3D-QSAR, design, molecular docking and dynamics simulation studies of novel 6-hydroxybenzothiazole-2-carboxamides as potentially potent and selective monoamine oxidase B inhibitors - Xie, Dong; Tian, Yongzheng; Cao, Li; Guo, Penghang; Cai, Zhibiao; Zhou, Jie (Frontiers in Pharmacology, 2025)