Abstract
This paper describes the synthesis, spectroscopic characterization, in-vitro activity on A549 cell line, density functional theory, structure-activity relationship, molecular docking and ADMET evaluation of 2H-pyrido[1,2-a] pyrimidine-2,4(3H)-dione (PY) and 4-hydroxy-1,8-naphthyridin-2(1H)-one (NI). It was discovered that PY and NI showed moderate cytotoxicity against A549 cell line. Both the compounds PY and NI shows a remarkable decrease in the % cell viability of approx. 23% and 22% respectively. The ADMET analysis predicted a stronger effect for the P-glycoprotein activity. The first hyperpolarizabilities (β0) were found to be 2.21*10−30 esu (PY) and 5.79*10−30 esu (NI) respectively and compared with the standard reference urea. It was observed that the chemical reactivity of NI was better as compared to PY and ultimately it may be regarded as a good synthetic intermediate for the synthesis of a number of bioactive heterocycles like Vosaroxin, Gemifloxacin, quinazolines and many more.
Published Version
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