Molecular docking analysis to validate the efficacy of traditional Siddha polyherbal Formulation Aavarai Bhavanai Chooranam(ABC)against enzyme alpha-glucosidase for Type II Diabetes Mellitus  

作　　者：Venkatachalam Lakshmanakumar Gurumurthy Arthi Jayaraj Rathinam Venkatesan Harishanbuselvan Dhanasekaran Sivaraman 

机构地区：[1]AIIMS Raipur,Chhattisgarh 492099,India [2]Sai Siddha Clinic,Salem,Tamil Nadu 636354,India [3]GUPHC,Eriyamangalam,Namakkal 637210,Tamil Nadu,India [4]National Institute of Siddha,Chennai,Tamil Nadu 600047,India [5]Department of Biotechnology,Pandit Deenadayal Energy University,Knowledge Corridor,Raisan Village,PDPU Road,Gandhi Nagar,Gujarat 382426,India

出　　处：《TMR Integrative Medicine》2023年第1期1-11,共11页TMR整合医学

摘　　要：Background:The Siddha system of traditional medicine has historically been utilized to treat a wide range of illnesses,including noncommunicable diseases.With more than 62 million people in India already living with diabetes,the disease is quickly gaining the status of a possible epidemic.It has been demonstrated that this medical theory contains anti-diabetic substances.The goal of this work is to assess in silico computational investigations of the phytoconstituents in the traditional Siddha polyherbal preparation ABC,which is frequently used to treat diabetes.Method:Alpha-Glucosidase was used as the target enzyme in docking calculations for recovered phytocomponents.With the help of Auto Dock tools,necessary hydrogen atoms,Kollman unified atom type charges,and solvation parameters were added.The Lamarckian genetic algorithm and the Solis and Wets local search approach were used to simulate docking.Results:A total of 13 bioactive lead compounds were identified from the Siddha Formulation ABC.According to the herb’s stated data,the target enzyme Alpha-Glucosidase can interact with the phytochemicals Beta-Sitosterol,Amyrin,Lupeol,Arjunic acid,Arjungenin,Tinosporide,and Tembetarine up to four or five times.The second-placed substances,which had a maximum of two to three interactions with the target enzyme Alpha-Glucosidase,were betulonic acid,kaempferol,gallic acid,and barbaloin.Conclusion:The implementation of these formulations in future preclinical and clinical studies could result in the effective management of Type II Diabetes Mellitus.

关 键 词：Aavarai Bhavanai Chooranam molecular docking POLYHERBAL DIABETES traditional siddha 

分 类 号：R58[医药卫生—内分泌]