Abstract

Strategies for CADD vary depending on the extent of structural and other information available regarding the target (enzyme/receptor) and the ligands. Computer-aided drug design (CADD) is an exciting and diverse discipline where various aspects of applied and basic research merge and stimulate each other. In the early stage of a drug discovery process, researchers may be faced with little or no structure activity relationship (SAR) information. The process by which a new drug is brought to market stage is referred to by a number of names most commonly as the development chain or “pipeline” and consists of a number of distinct stages. To design a rational drug, we must firstly find out which proteins can be the drug targets in pathogenesis. In present review we reported a CADD, DNA as target, receptor theory, structure optimization, structure-based drug design, virtual high-throughput screening (vHTS), Computer-Aided Drug Design graph machines as Innovative Tools for the in silico Modeling Identification of a immunogenic MAGED4B peptide-mimetic pharmacophoric robust agent as a potential fragment-library derived drug-compound comprising vaccine mimic annotated properties in oral cancer immunotherapies. Rationally in silico Identification of a immunogenic MAGED4B peptide-mimetic pharmacophoric robust agent as a potential fragment-library derived drug-compound comprising vaccine mimic annotated properties in oral cancer immunotherapies.

Keywords

CADD; HTS; Software;General Purpose; Molecular Modeling; SBDD, Computer-Aided Drug Design; Innovative Tool; Modeling Rationally; in silico Identification; immunogenic; MAGED4B; peptide-mimetic; pharmacophoric; robust agent; potential; fragment-library; drug-compound; vaccine mimic; annotated properties; oral cancer immunotherapies;