Synthesis and in vitro studies for structure-based design of novel chalcones as antitubercular agents targeting InhA - SUPPLEMENTARY FILES FOR TABLES.docx

<strong>Table 1. Structure of the prepared chalcones</strong> <strong>Table 2. Synthesis of Chalcone Derivatives</strong> <strong>Table 3. Docking Score and Interactions of Designed Chalcone Derivatives</strong> <strong>Table 4. Physicochemical Properties of the designed Inhibitors</strong> <strong>Table 5. Toxicity Profile of the designed Chalcone Derivatives</strong> <strong>Table 6. In-silico Pharmacokinetic Profile of the designed Chalcone Derivatives</strong> <strong>Table 7. Bioactivity Score and Medicinal Chemistry of the designed Chalcone Derivatives</strong> <strong>Table 8. Antimycobacterial activity of Chalcone Derivatives</strong>表1. 制备所得查尔酮（chalcone）的结构 表2. 查尔酮衍生物的合成 表3. 设计所得查尔酮衍生物的对接评分与相互作用 表4. 所设计抑制剂的理化性质 表5. 设计所得查尔酮衍生物的毒性概况 表6. 设计所得查尔酮衍生物的计算机虚拟（in silico）药代动力学概况 表7. 设计所得查尔酮衍生物的生物活性评分与药物化学特征 表8. 查尔酮衍生物的抗分枝杆菌活性