Tối ưu hóa tổng hợp với hỗ trợ vi sóng và nghiên cứu docking một số dẫn chất 1,3,5-triazin trong ứng chế DHFR

Replacement of chloride ions in cyanuric chloride give several variants of 1,3,5‑triazine derivatives which were investigated as biologically active small molecules. Response surface methodology (RSM) approach was used for optimization of the process parameters and identifying the optimal conditions for microwave-assisted synthesis of 1,3,5‑triazine derivatives bearing substituted aniline moiety. The structures were confirmed by IR, ¹H-NMR, ¹³C-NMR and MS spectra. Molecular docking studies (in silico) were conducted on compounds to recognize the hypothetical binding motif of the title compounds within the active site of DHFR enzyme.

Keywords: 1,3,5-triazine, anticancer, molecular docking.

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