α-Glucosidase inhibitors: consistency of: in silico docking data with in vitro inhibitory data and inhibitory effect prediction of quercetin derivatives

• Main Authors: Zhu, Jianzhong, Zhang, Bin, Tan, Chin Ping, Huang, Qiang
• Format: Article
• Language: English
• Published: The Royal Society of Chemistry 2019
• Online Access: http://psasir.upm.edu.my/id/eprint/82777/1/%CE%B1-Glucosidase%20inhibitors%20consistency%20of%20in%20silico%20docking%20data%20with%20in%20vitro%20inhibitory%20data%20and%20inhibitory%20effect%20prediction%20of%20quercetin%20derivatives.pdf; http://psasir.upm.edu.my/id/eprint/82777/; https://pubmed.ncbi.nlm.nih.gov/31517355/
• Institution: Universiti Putra Malaysia

The present study aims to investigate the relationship between in silico experimental data and in vitro inhibitory data of polyphenols against α-glucosidase. The CDOCKER protocol in Discovery Studio was used to dock various polyphenols to the Saccharomyces cerevisiae α-glucosidase crystal structure....