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Article type: Research Article
Authors: Etu, Shafia Farhanaa | Hossain, M. Alamgirb | Rouf, Abu Shara Shamsura | Alqahtani, Alic | Qais, Nazmula; *
Affiliations: [a] Faculty of Pharmacy, University of Dhaka, Dhaka, Bangladesh | [b] Department of Pharmacy, Jagannath University, Chittaranjan Ave., Dhaka, Bangladesh | [c] Department of Pharmacology, College of Pharmacy, King Khalid University, Guraiger, Abha, Saudi Arabia
Correspondence: [*] Corresponding author: Nazmul Qais, Faculty of Pharmacy, University of Dhaka, Dhaka, Bangladesh. E-mail: nqais@du.ac.bd.
Abstract: 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.
Keywords: Molecular modeling, anticancer agent, 5, 10-dihydro-7, 8-dimethyl alloxazine
DOI: 10.3233/MGC-210025
Journal: Main Group Chemistry, vol. 20, no. 1, pp. 81-88, 2021
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