Mudireddy Ram Reddy, Gundla Rambabu, Shaik Baji Baba, Bodapati Anoop, Mahesh Panasa, Naidu Shiva Sravan, Tirumalasetti Damodar, Katari Naresh Kumar
Department of Chemistry, GITAM School of Science, GITAM (Deemed to be University) Hyderabad Telangana 502 329 India
B.V.Raju Institute of Technology Vishnupur, Narsapur, Medak Dist Telangana 502313 India.
RSC Adv. 2025 May 21;15(22):17118-17129. doi: 10.1039/d5ra01971k.
To discover potential α-glucosidase inhibitory agents, a new series of '-(2-cyclopentyl-2-phenylacetyl)cinnamohydrazide derivatives were designed and synthesized as α-glucosidase inhibitors. The newly synthesized compounds were characterized using H, C NMR, and mass spectroscopy analysis and evaluated for their α-glucosidase inhibitory effects. All the tested compounds displayed significant α-glucosidase inhibitory activity compared to the standard drug acarbose. Among all, compounds 7b, 7d and 6g exhibited the strongest inhibition with IC values of 14.48 nmol, 18.88 nmol and 28.51 nmol, respectively. Molecular docking analysis was conducted to identify the important binding interactions responsible for inhibition activity of a-glucosidase. The compounds 7b and 7d exhibit the highest docking energies, with same value of -10.1 kcal mol with crucial hydrogen bonding interactions with HIS:280 and ASN:415, respectively. Furthermore, computational drug likeness/ADME/toxicity analysis was conducted on the compounds, which indicated that these compounds exhibit drug-like properties and possess favourable ADME and toxicity profiles.
为发现潜在的α-葡萄糖苷酶抑制剂,设计并合成了一系列新型的α-(2-环戊基-2-苯基乙酰基)肉桂酰肼衍生物作为α-葡萄糖苷酶抑制剂。通过氢谱、碳谱核磁共振以及质谱分析对新合成的化合物进行了表征,并评估了它们对α-葡萄糖苷酶的抑制作用。与标准药物阿卡波糖相比,所有测试化合物均表现出显著的α-葡萄糖苷酶抑制活性。其中,化合物7b、7d和6g表现出最强的抑制作用,其IC值分别为14.48 nmol、18.88 nmol和28.51 nmol。进行了分子对接分析,以确定对α-葡萄糖苷酶抑制活性起重要作用的结合相互作用。化合物7b和7d表现出最高的对接能,均为-10.1 kcal/mol,分别与HIS:280和ASN:415形成关键的氢键相互作用。此外,对这些化合物进行了计算药物相似性/吸收、分布、代谢和排泄/毒性分析,结果表明这些化合物具有类药物性质,且具有良好的吸收、分布、代谢和排泄特性以及毒性特征。