To find out effective anticancer compounds we synthesized (1–30) derivatives of 4-isopropylbenzoylhydrazone and evaluated for anticancer potential. The compounds 3, 9, 12, 23, 26 and 28 showed better activities ranging (0.39–1.1 µg/ml) than the standard (1.53 ± 0.01 µg/ml). In line with this, compounds 2, 6, 24, 25 and 29 exhibited better activities compared to the second standard (5FU 4.60 ± 0.01 µg/ml). The best molecular docked complex between the BRCA1 structure and the 1–30 derivatives were analyzed based on the Glide docked score and binding orientation for both the SP and XP mode. The 2D-QSAR analysis reflected a significant correlation between the experimental and the predicted biological activities. The above-mentioned compounds were also assessed by various spectroscopic techniques.

要了解我们合成有效抗癌化合物（1 - 30）4- isopropylbenzoylhydrazone的衍生物，并评价抗癌潜力。化合物3，9，12，23，26和28显示出比标准（1.53±0.01微克/毫升）更好的活动范围（0.39-1.1微克/毫升）。与此一致，化合物2，6，24，25个29相比于第二标准（5FU 4.60±0.01微克/毫升）表现出更好的活性。BRCA1结构与1 –基于SP和XP模式的Glide对接得分和结合方向，分析了30种衍生物。2D-QSAR分析反映了实验活动与预测的生物活动之间的显着相关性。还通过各种光谱技术评估了上述化合物。