TSMU I. Kutateladze Institute of Pharmacochemistry, Tbilisi 0159, Georgia.
School of Pharmacy, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece.
Molecules. 2023 Jan 24;28(3):1167. doi: 10.3390/molecules28031167.
Twelve steroid based hydrazones were in silico evaluated using computer program PASS as antimicrobial agents. The experimental evaluation revealed that all compounds have low to moderate antibacterial activity against all bacteria tested, except for with MIC at a range of 0.37-3.00 mg/mL and MBC at 0.75-6.00 mg/mL. The most potent appeared to be compound with MIC/MBC of 0.75/1.5 mg/mL, respectively. The evaluation of antibacterial activity against three resistant strains MRSA, and demonstrated superior activity of compounds against MRSA compared with ampicillin, which did not show bacteriostatic or bactericidal activities. All compounds exhibited good antifungal activity with MIC of 0.37-1.50 mg/mL and MFC of 1.50-3.00 mg/mL, but with different sensitivity against fungi tested. According to docking studies, 14-alpha demethylase inhibition may be responsible for antifungal activity. Two compounds were evaluated for their antibiofilm activity. Finally, drug-likeness and docking prediction were performed.
使用计算机程序 PASS 对 12 种甾体类腙进行了计算机模拟评估，作为抗菌剂。实验评估表明，除化合物 [化合物 1] 外，所有化合物对所有测试的细菌均具有低至中度的抗菌活性，MIC 范围为 0.37-3.00mg/mL，MBC 为 0.75-6.00mg/mL。最有效的似乎是化合物 [化合物 2]，其 MIC/MBC 分别为 0.75/1.5mg/mL。对三种耐药株 MRSA、 和 进行的抗菌活性评估表明，与氨苄西林相比，化合物对 MRSA 具有更好的活性，氨苄西林没有表现出抑菌或杀菌活性。所有化合物均表现出良好的抗真菌活性，MIC 为 0.37-1.50mg/mL，MFC 为 1.50-3.00mg/mL，但对测试的真菌敏感性不同。根据对接研究，14-α 去甲基酶抑制可能是抗真菌活性的原因。对两种化合物进行了抗生物膜活性评价。最后，进行了药物相似性和对接预测。
