Design, Synthesis and Molecular Docking of Vanillic Acid Derivatives as Amylolytic Enzyme Inhibitors

Autor:	Nishi Gupta, Shanti Bhushan Mishra, Alok Mukerjee
Rok vydání:	2021
Předmět:	Pharmacology chemistry.chemical_classification Stereochemistry Carbon-13 NMR Selective inhibition Ligand (biochemistry) In silico docking chemistry.chemical_compound Enzyme chemistry Design synthesis Drug Discovery Proton NMR Vanillic acid
Zdroj:	Pharmaceutical Chemistry Journal. 55:427-435
ISSN:	1573-9031 0091-150X
Popis:	In the present work, a series of vanillic acid derivatives have been synthesized and tested to exhibit promising amylolytic enzymes inhibition. Structures of the synthesized derivatives were studied by FT-IR, 1H NMR, 13C NMR, EI-MS, and structural analysis. In order to confirm the interaction between ligand and receptor molecule, in silico docking was performed. Results indicated that two derivatives (3a and 3g) are promising compounds exhibiting good glide score to the development of selective inhibition of α-amylase and α-glucosidase.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8bc2bfe33bc6755449541b2166288565 https://doi.org/10.1007/s11094-021-02439-4 Zobrazit plný text záznamu Plný text ve formátu PDF