Efficient Synthetic Technique, PASS Predication, and ADMET Studies of Acylated n-Octyl Glucopyranosides

Journal of Applied Science & Process Engineering

Mohammad Ali¹  Mohammed Mahbubul Matin¹  Md. Hasanul Karim¹ 

[1] Bioorganic and Medicinal Chemistry Laboratory, Department of Chemistry, Faculty of Science, University of Chittagong, Chattogram, 4331, Bangladesh;

关键词: n-Octyl β-D-glucopyranoside (OBG), Carbohydrate Fatty Acid (CFA) Esters (SEs), PASS Predication, ADMET, SwissADME.;   

DOI  :  10.33736/jaspe.2823.2021

来源: DOAJ

【 摘 要 】

Direct dimolar pentanoylation of octyl β-D-glucopyranoside (OBG) in pyridine-chloroform solvent system furnished the corresponding 3,6-di-O-pentanoate in improved yield. The pentanoate was further converted into three 2,4-di-O-acyl esters to get novel octyl glucopyranosides. To explore medicinal probability of OBG-based esters all the synthesized compounds were subjected for in silico PASS (prediction of activity spectra for substances) predication and ADMET (absorption, distribution, metabolism, excretion, and toxicity) studies. Both the studies indicated that OBG derived carbohydrate fatty acid (CFA) esters are potential alternative for multidrug resistant (MDR) pathogens, especially for fungal infections.

【 授权许可】

Unknown