Synthesis, anticancer activity, and molecular simulation of N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)thioureas containing a pyrimidine ring

Author:

Toan Vu Ngoc12,Thanh Nguyen Dinh1ORCID,Hai Do Son13,Tri Nguyen Minh12

Affiliation:

1. Faculty of Chemistry, VNU University of Science (Vietnam National University, Hanoi), 19 Le Thanh Tong, Ha Noi, Vietnam

2. Institute of New Technology, Military Institute of Science and Technology (Ministry of Military), 17 Hoang Sam, Cau Giay, Ha Noi, Vietnam

3. Institute of Science and Technology, Ministry of Public Security of Vietnam, 47 Pham Van Dong, Cau Giay, Ha Noi, Vietnam

Abstract

Glucopyranosyl thioureas 7a–k of pyrimidine were the remarkable inhibitors for isoforms hCA IX and XII. 7c and 7d were the most potent ones and also for MCF-7, HepG2, HeLa, and SK-LU-1 cells. Their molecular docking and dynamics simulations were done.

Publisher

Royal Society of Chemistry (RSC)

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