One-Pot Microwave-Assisted Synthesis, in Vitro Anti-inflammatory Evaluation and Computer-Aided Molecular Design of Novel Sulfamide-Containing Bisphosphonates Derivatives,ChemistrySelect

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One-Pot Microwave-Assisted Synthesis, in Vitro Anti-inflammatory Evaluation and Computer-Aided Molecular Design of Novel Sulfamide-Containing Bisphosphonates Derivatives
ChemistrySelect ( IF 1.9 ) Pub Date : 2022-07-26 , DOI: 10.1002/slct.202201889
Aϊcha Amira _{1,

2} , Hacène K'tir _{1,

3} , Zineb Aouf ₁ , Taha Khaldi ₄ , Houria Bentoumi ₁ , Latifa Khattabi ₅ , Rachida Zerrouki ₆ , Malika Ibrahim‐Ouali ₇ , Nour‐Eddine Aouf ₁

Affiliation

Novel sulfamide-containing bisphosphonates derivatives were synthesized through multicomponent reactions using microwave activation under solvent- and catalyst- free conditions. The anti-inflammatory activity and the theoretical calculations of four compounds were determined, and the binding mode between MMP-8 protein and the ligands was predicted by molecular docking. The results revealed that our lead compounds may be used as a proposed drug for medical applications.

中文翻译：

新型含磺酰胺双膦酸盐衍生物的一锅微波辅助合成、体外抗炎评估和计算机辅助分子设计

在无溶剂和无催化剂条件下，使用微波活化通过多组分反应合成新型含磺酰胺双膦酸盐衍生物。确定了四种化合物的抗炎活性和理论计算，并通过分子对接预测了MMP-8蛋白与配体的结合方式。结果表明，我们的先导化合物可用作医疗应用的拟议药物。

更新日期：2022-07-27

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