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