Singh Gurpreet
Department of Biotechnology, Lyallpur Khalsa College, 144001 Jalandhar, India.
J Diabetes Metab Disord. 2022 Jul 11;21(2):1339-1347. doi: 10.1007/s40200-022-01064-6. eCollection 2022 Dec.
H.Karst. commonly known as Heeng in India belong to family () and has been known for neuroprotective, antioxidant, antispasmodic, hypotensive, hepatoprotective anthelmintic and antagonistic activities. This study was designed to elucidate the key compounds of asafoetida as potential anti alpha amylase and alpha glucosidase inhibitory role in curing the Type 2 Diabetes Mellites.
Based upon the literature survey various compounds of the asafoetida was deduced from the Pubchem and protein structure was deduced from protein data bank. Virtual screening was performed using Pyrx with α- amylase and α- glucosidase. Compounds with highest binding affinity score and 3-d interaction analysis was used to identify the potential inhibitors among various compounds. Pharmacokinetic studies for Drug likeliness and toxicity properties were characterized using SWISS ADME and ADMETSAR webservers.
The docking scores, bindging affinity and 3d structure studies showed that Kamolonol, Gummosin, Picealactone B, Farnesiferol A are showing potential anti α- amylase whereas Epi-conferdione, Conferol, Feselol, and Farnesiferol C shows α- glucosidase inhibitory properties. The qualitative structural activity relationship for drug-likeness, pharmacokinetics and carcinogenicity analysis indicates that they are safe as drug molecules as these compounds follows the various parameters such as Lipinski's rule of 5, anti-carcinogenicity etc.
This study shows that phytochemicals of have the potential antidiabetic properties which could be further used to develop into effective antidiabetic drug from a natural resource.
H.Karst，在印度通常被称为Heeng，属于（）科，已知具有神经保护、抗氧化、解痉、降压、保肝、驱虫和拮抗活性。本研究旨在阐明阿魏中的关键化合物在治疗2型糖尿病中作为潜在的抗α淀粉酶和α葡萄糖苷酶抑制剂的作用。
基于文献调查，从Pubchem推导阿魏的各种化合物，从蛋白质数据库推导蛋白质结构。使用Pyrx对α淀粉酶和α葡萄糖苷酶进行虚拟筛选。具有最高结合亲和力得分的化合物和3D相互作用分析用于识别各种化合物中的潜在抑制剂。使用SWISS ADME和ADMETSAR网络服务器对药物相似性和毒性特性进行药代动力学研究。
对接得分、结合亲和力和3D结构研究表明，Kamolonol、Gummosin、Picealactone B、Farnesiferol A显示出潜在的抗α淀粉酶活性，而Epi-conferdione、Conferol、Feselol和Farnesiferol C显示出α葡萄糖苷酶抑制特性。药物相似性、药代动力学和致癌性分析的定性构效关系表明，这些化合物作为药物分子是安全的，因为它们符合各种参数，如Lipinski的五规则、抗癌性等。
本研究表明，阿魏的植物化学物质具有潜在的抗糖尿病特性，可进一步用于从自然资源开发成有效的抗糖尿病药物。
