Molecular docking and anticancer activity determination of 5,10-dihydro-7,8-dimethyl alloxazine derived from lumichrome of riboflavin

Autor:	Abu Shara Shamsur Rouf, Shafia Farhana Etu, M. Alamgir Hossain, Nazmul Qais, Ali Alqahtani
Rok vydání:	2021
Předmět:	0301 basic medicine Inorganic Chemistry 03 medical and health sciences 030104 developmental biology 0302 clinical medicine Chemistry Stereochemistry 030220 oncology & carcinogenesis Organic Chemistry Materials Chemistry Riboflavin
Zdroj:	Main Group Chemistry. 20:81-88
ISSN:	1745-1167 1024-1221
Popis:	Cancer is accountable for the demise of numerous lives worldwide annually. In this research a derivative of lumichrome, 5,10-dihydro-7,8-dimethyl alloxazine was assessed for its anticancer property through docking study. It was appraised after performing molecular docking study of the 5,10-dihydro-7,8-dimethyl alloxazine, there was a strong interaction between multiple oncogenic target proteins like CDK2/CCNE2 (–8.5 kcal/mol), TDP2 (–8 kcal/mol), NAD-SIRT2 (–10.9 kcal/mol) and lung cancer and acute lymphoblastic leukemia (ALL). Additionally, according to ADMET analysis, the synthesized compound 5,10-dihydro-7,8-dimethyl alloxazine also has good physicochemical characteristics to be a drug candidate. Consequently, these verdicts will assist the development of a novel anti-lung cancer and anti-leukemic agent which will eventually improve the endurance of cancer patients.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e123c1c27ab875ff5e452e6b9d352c30 https://doi.org/10.3233/mgc-210025 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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