In vitro Antioxidant, Cytotoxicity Study on EAC Cell Line of Quinazolin-4(3H)-one Derivatives: Synthesis, Molecular Docking, in silico Drug Likeness

Abstract:

Aim: The quinazolin-4(3)-one exist an important sort of therapeutic drug candidates which attain integer of biological actions. In this research intended on design, synthesis, and Drug likeness, screened their antioxidant by DPPH method, Cytotoxicity tumor cell line by EAC method. Materials and Methods: The existing amendment evaluated their antioxidant actions of quinazolin-4(3H)-one derivatives (1-8) using Assay of 2,2-diphenyl-1-picryl hydrazyl radical scavenging (DPPH) followed by in vitro cytotoxicity done with tryban blue exclusion technique by Ehrlich ascites carcinoma cells (QSL2 and QSD3). Molecular docking studies performed using PDB: 1M17, 2kw6 by PyRx virtual screening Autodock Vina and also software’s like admit SAR, Pkcsm used for physiochemical studies and Pharmacokinetic prediction as well as structures of synthesized molecules inveterate with spectral scrutiny of IR, ¹H, ¹³C NMR as well as Molecular mass. Results: Among (1-8) Ligands in order to be docked with the enzyme EGFR TK’sand CDK’S the substituted NOIR, ¹H, ¹³C and N(CH₃)₂ group with Quinazolin-4(3H)-one (QSL2 and QSD3) produced the typical effectual with in the middle of elevated requisite rate of -9.0 kcal/mol and -8.7kcal/ mol. The ligands contains of Cl, OCH₃ gathering exibits best docked score of (QSL1–QSL4)8.6kcal/ mol and 8.7kcal/mol and residual ligands all possess good docking scores more than-7.0kcal/mol against EGFR and CDK’S enzymes. Among all the selected compounds refusal violation exibits drug likeness properties. Conclusion: On the whole study showed to most of the compounds is appropriate action against antioxidant, tumor cell line of anticancer agents. Depending upon the docking scores and in vitro study, drug likeness properties of the composite be selected, also endorse in vivo study which may perhaps carry on beneficial enroute for broad better inhibitoryquinazolin-4(3H)-one derivatives.

Keywords: Quinazolin-4(3H)-one, Antioxidant activity, Cyto-toxicity, Molecular docking, DPPH Method, EAC method.