Abstract
Background: 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.
Results: 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 = mu mol/mL) against selected Gram positive; Gram negative bacterial and fungal strains by tube dilution method. The anticancer activity -(IC50 = mu mol/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.
Conclusions: The antimicrobial screening results indicated that compounds, q1 (MICbs = 0.83 mu mol/mL), q16 (MICan = 1.54 mu mol/mL and MICec = 0.77 mu mol/mL), q1 and q19 (MICca = 0.41 mu mol/mL) and q20 (MIC = 0.36 mu mol/mL) are the most active ones. Compounds q1 (IC50 = 0.18 mu mol/mL) have emerged as potent anticancer molecule against human colorectal carcinoma cancer cell line than the reference drug, 5-fluorouracil. Molecular docking studies indicated that compound q1 (the most active molecule) has the maximum hydrogen bond interaction (four) and pi-pi stacking (three) network among the bis-pyrimidine Schiff bases.