Ghorab Mostafa M, Alsaid Mansour S, El-Gaby Mohamed S A, Elaasser Mahmoud M, Nissan Yassin M
Pharmacognosy Department, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh, 11451, Saudi Arabia.
Department of Drug Radiation Research, National Center for Radiation Research and Technology, Nasr City, Cairo, 113701, Egypt.
Chem Cent J. 2017 Apr 7;11(1):32. doi: 10.1186/s13065-017-0258-4.
Various thiourea derivatives have been used as starting materials for compounds with better biological activities. Molecular modeling tools are used to explore their mechanism of action.
A new series of thioureas were synthesized. Fluorinated pyridine derivative 4a showed the highest antimicrobial activity (with MIC values ranged from 1.95 to 15.63 µg/mL). Interestingly, thiadiazole derivative 4c and coumarin derivative 4d exhibited selective antibacterial activities against Gram positive bacteria. Fluorinated pyridine derivative 4a was the most active against HepG2 with IC50 value of 4.8 μg/mL. Molecular docking was performed on the active site of MK-2 with good results.
Novel compounds were obtained with good anticancer and antibacterial activity especially fluorinated pyridine derivative 4a and molecular docking study suggest good activity as mitogen activated protein kinase-2 inhibitor. Graphical abstract Compound 4a in the active site of MK-2.
各种硫脲衍生物已被用作具有更好生物活性的化合物的起始原料。分子建模工具用于探索其作用机制。
合成了一系列新的硫脲。氟化吡啶衍生物4a表现出最高的抗菌活性（MIC值范围为1.95至15.63μg/mL）。有趣的是，噻二唑衍生物4c和香豆素衍生物4d对革兰氏阳性菌表现出选择性抗菌活性。氟化吡啶衍生物4a对HepG2的活性最高，IC50值为4.8μg/mL。在MK-2的活性位点上进行了分子对接，结果良好。
获得了具有良好抗癌和抗菌活性的新型化合物，尤其是氟化吡啶衍生物4a，分子对接研究表明其作为丝裂原活化蛋白激酶-2抑制剂具有良好活性。图形摘要：化合物4a在MK-2的活性位点。
