Investigation of potential anti-malarial lead candidate 2-(4-fluorobenzylthio)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole: Insights from crystal structure, DFT, QTAIM and hybrid QM/MM binding energy analysis

Investigation of potential anti-malarial lead candidate 2-(4-fluorobenzylthio)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole: Insights from crystal structure, DFT, QTAIM and hybrid QM/MM binding energy analysis

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1175, 5 January 2019, Pages 230-240

Lamya H. Al-Wahaibi, Nandakumar Santhosh Kumar, Ali A. El-Emam, Natarajan S. Venkataramanan, Hazem A. Ghabbour, Abdul-Malek S. Al-Tamimi, Judith Percino, Subbiah Thamotharan,