IN-SILICO DESIGN AND COMPUTATIONAL STUDY OF NOVEL QUINAZOLIN-4-ONE DERIVATIVES AS POTENTIAL AFFINITY WITH EGFR FOR ANTICANCER ACTIVITYAbstract
Molecular object precise healing designed for the malignancy be unrelated as of the predictable therapy, as well as radio healing in conditions of selectivity and specificity target to the malignant tyrosine kinase, is well-thought-out additional shows potential molecular intention for invention and expansion of the new cytotoxic drug molecules. Epidermal growth factor receptor is overexpression irregulation or alteration are experiential in the various types of epithelial type cancer such as non-small cell lung cancer (NSCLC), carcinoma of the breast, colon, etc., in the present research carry out molecular modeling study approaches on quinazolinone derivatives as EGFR Inhibitors with the put of 20 drug molecules will be taken to show the relationship of the structural parameters, a drug like properties by using molinspiration technique and further, molecular docking simulation was done and find the interaction of Ligands active position of EGFR, as well as computational study, was carried out which results in the prediction of pharmacokinetic & bioactivity properties. Moreover, the results of this work afford the information related to the imperative of structure-activity relationship and structural requirements for the interface of compounds at the active location of the receptor molecule and to make available and design of new target Analogue as Epidermal Growth factor receptor of tyrosine kinase inhibitors.
N. Srinivasan, K. Kavitha *, S. Mohan and R. Suresh
Department of Pharmaceutical Chemistry, Karpagam College of Pharmacy, Coimbatore, Tamil Nadu, India.
28 August 2020
12 December 2021
23 May 2021
01 January 2022