Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry
ISSN: 0975-413X
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Abstract
Crystal Structure Analysis and Molecular Docking Studies of Acylthiourea Derivatives against mycobacterium tuberculosis DprE1 Inhibitor
Author(s): G. Jagadeesan, M. Beemarao, K. Ravichandran and M. N. PonnuswamySingle crystals of two acylthiourea derivatives, namely N-((4-methoxyphenyl) carbamothioyl) cyclohexanecarboxamide (1) and N-(dibenzylcarbamothioyl) cyclohexane carboxamide (2), have been carried out using X-ray diffraction methods. The acylthiourea group in both the derivatives adopts an extended conformation. Docking studies demonstrate that acylthiourea derivatives can bind to mycobacterium tuberculosis DprE1 enzyme and to evaluate whether these molecules can be used as potential inhibitor for tuberculosis (TB) infectious diseases.
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