Synthesis, molecular docking and biological evaluation of bis-pyrimidine Schiff base derivatives

Chemistry Central Journal
Sanjiv KumarBalasubramanian Narasimhan

Abstract

Heterocyclic pyrimidine nucleus, which is an essential base component of the genetic material of deoxyribonucleic acid, demonstrated various biological activities. A series of bis-pyrimidine Schiff bases were synthesized and screened for its antimicrobial and anticancer potentials. The molecular docking study was carried to find the interaction between active molecules with receptor. The structures of synthesized bis-pyrimidine Schiff bases were confirmed by spectral studies. The synthesized bis-pyrimidine derivatives were evaluated for their antimicrobial activity (MIC = µmol/mL) against selected Gram positive; Gram negative bacterial and fungal strains by tube dilution method. The anticancer activity (IC50 = µmol/mL) of the synthesized compounds was determined against human colorectal carcinoma (HCT116) cancer cell line by Sulforhodamine B (SRB) assay. Molecular docking studies provided information regarding the binding mode of active bis-pyrimidine Schiff bases with the cyclin-dependent kinase 8 (CDK8) receptor. The antimicrobial screening results indicated that compounds, q1 (MICbs = 0.83 µmol/mL), q16 (MICan = 1.54 µmol/mL and MICec = 0.77 µmol/mL), q1 and q19 (MICca = 0.41 µmol/mL) and q20 (MIC = 0.36 µmol/mL) are the mos...Continue Reading

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Citations

Nov 16, 2019·BMC Chemistry·Thierry Youmbi FonkuiDerek Tantoh Ndinteh
Dec 2, 2020·European Journal of Medicinal Chemistry·Dan WuXinhua Liu
May 1, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Fatma BassyouniMohamed Abdel-Rehim

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