Background: The search for new antimicrobial drugs is a never-ending task due to microbial resistance to the existing drugs. Antioxidants are essential to prevent free radical reactions which lead to chronic diseases to humankind.

Objective: The present studies were aimed at synthesis, characterization, antimicrobial and antioxidant activities of pyridine and benzoisothiazole decorated chalcones.

Materials and Methods: FTIR spectra were recorded using KBr pellets on Shimadzu FT-IR spectrophotometer. 1H and 13C NMR spectra were recorded on Bruker 400 MHz spectrometer. Antimicrobial activity of the synthesized chalcones was found to be good against different bacterial and fungal strains. Antioxidant activity was studied in terms of 2,2-diphenyl-1-picrylhydrazyl, hydroxyI and superoxide radical scavenging activities. Molecular docking was studied using Discovery Studio Visualizer Software, version 16 whereas Autodock Vina program was used to predict the toxicity profile of the compounds using FAFDrugs2 predictor.

Results and Discussion: The compounds 5c, 5d & 6c showed good antioxidant activities. The insilico molecular docking study supports the experimental results and demonstrated that the chalcones 5d, 6a and 7a are the most active among the synthesized derivatives.

Conclusion: Prediction of pharmacokinetic parameters and molecular docking studies suggest that the synthesized chalcones have good pharmacokinetic properties to act as lead molecules in the drug discovery process.

背景：由于微生物对现有药物的耐药性，寻找新的抗微生物药物是一项永无止境的任务。抗氧化剂对于防止导致人类慢性疾病的自由基反应至关重要。

目的：本研究旨在研究吡啶和苯并异噻唑修饰的查耳酮的合成，表征，抗菌和抗氧化活性。

材料与方法：使用Shirzuzu FT-IR分光光度计上的KBr颗粒记录FTIR光谱。在Bruker 400MHz光谱仪上记录1 H和13 C NMR光谱。发现合成的查耳酮对不同的细菌和真菌菌株具有良好的抗菌活性。根据2，2-二苯基-1-吡啶并肼基，羟基和超氧化物自由基清除活性研究了抗氧化活性。使用Discovery Studio Visualizer软件版本16研究了分子对接，而Autodock Vina程序则使用FAFDrugs2预测因子预测化合物的毒性特征。

结果与讨论：化合物5c，5d和6c显示出良好的抗氧化活性。硅分子对接研究支持了实验结果，并证明了查耳酮5d，6a和7a是合成衍生物中最活跃的。

结论：药代动力学参数的预测和分子对接研究表明，合成的查耳酮具有良好的药代动力学特性，可在药物发现过程中充当先导分子。