Medicinal Chemistry Education: Molecular Level Understanding of All Medicinal Properties and Innovative Strategies

Abstract

Study the past if you would define the future. – Confucius Figure 1. Expertise-based career transitions to medicinal chemistry. Medicinal chemistry – a molecular level understanding of what an exogeneous molecule can do in the human body as well as what the body can do to the exogeneous molecule. Consideration of P3 properties – pharmacodynamics, physicochemical (ADMET-relevant), and pharmacokinetic profile. This requires a change from the conventional “structure–activity relationship” (SAR) to a comprehensive “structure–function relationship” (SFR) approach to all P3 properties of new investigational molecules. Critical molecular medicinal insight into the function of drugs, treatment regimens, clinical candidates. Drug Annotations and Patent Highlights published in the Journal of Medicinal Chemistry are useful to consider for teaching. Combination therapy to network polypharmacology interference. Analysis of molecular mechanisms associated with efficacy versus adverse drug reactions (ADRs) and drug-resistance issues. In the design and discovery of novel therapeutic agents, knowledge of “medicinophores” can be introduced. A structural motif that is responsible for improving major medicinal properties of investigated molecules can be termed as a “medicinophore”, while a pharmacophore is responsible for ligand-binding to biological macromolecules, and a chromophore represents a molecular part, a group, or an atom in a material that absorbs a particular wavelength of visible light and as a result reflects the color of the material. A range of property-focused strategies with innovative thinking and hypothesis-driven design rationale in drug discovery efforts. Computer-based predictions: AI, ML, DL, cluster-based analysis, molecular docking, molecular dynamics, various filters for physicochemical properties to create molecular medicinal value, and molecular physicochemical property descriptors. Chemical reactions, reagents, processes, logic in chemical (organic) synthesis, retrosynthesis, development of reaction methods and synthetic approaches, access to molecular diversity, and late-stage functionalization. Greener syntheses, green chemistry principles, greener reagents, solvents, and methods, and metrics. Intellectual property rights and patent law. Biophysical studies for evaluation of biological/medicinal properties and in vitro assay protocols, structure–function optimization, and in vivo experiments. Knowledge of using advanced scientific (analytical, spectroscopic, and others) instruments in drug discovery. Hands-on experience with experiments to gain skills in laboratory and research techniques and practical exposure to course contents. Real-life research experience through research projects focusing on particular therapeutic problems and the design, synthesis, and discovery of new bioactive agents or internships for drug discovery R&D experience in the pharmaceutical industry. This article has not yet been cited by other publications.