Medicinal Chemistry

  1. Fundamental Concepts
    1. Molecular Structure
      1. Types of chemical bonds
        1. Covalent bonds
          1. Ionic bonds
            1. Hydrogen bonds
              1. Van der Waals interactions
              2. Chemical composition and molecular weight
                1. Structural isomers
                  1. Chain isomers
                    1. Positional isomers
                      1. Functional isomers
                      2. Conformational analysis
                        1. Rotation around single bonds
                          1. Newman projections
                        2. Structure-Activity Relationships (SAR)
                          1. Definition and importance
                            1. Correlation between chemical structure and biological activity
                              1. Methods of SAR analysis
                                1. Modification of functional groups
                                  1. Alteration of carbon skeleton
                                  2. Case studies of SAR in drug development
                                    1. Tools for SAR analysis
                                    2. Quantitative Structure-Activity Relationships (QSAR)
                                      1. Basic principles and theories
                                        1. QSAR modeling and predictive capabilities
                                          1. Descriptors used in QSAR
                                            1. Hydrophobic parameters
                                              1. Electronic properties
                                                1. Steric factors
                                                2. Statistical techniques in QSAR
                                                  1. Regression analysis
                                                    1. Neural networks
                                                    2. Applications of QSAR in drug design
                                                      1. Limitations and challenges of QSAR
                                                      2. Pharmacophores
                                                        1. Definition and historical significance
                                                          1. Identification of pharmacophore models
                                                            1. Key features of pharmacophores
                                                              1. Hydrogen bond donors/acceptors
                                                                1. Aromatic rings
                                                                  1. Ionizable groups
                                                                  2. Computational methods for pharmacophore generation
                                                                    1. 3D pharmacophore mapping
                                                                      1. Virtual screening
                                                                      2. Applications in drug discovery and design
                                                                      3. Bioisosterism
                                                                        1. Concept and rationale for bioisosterism
                                                                          1. Types of bioisosteres
                                                                            1. Classical bioisosteres
                                                                              1. Non-classical bioisosteres
                                                                              2. Role of bioisosterism in modifying drug properties
                                                                                1. Improving potency and selectivity
                                                                                  1. Enhancing pharmacokinetic properties
                                                                                  2. Examples and case studies in drug development
                                                                                    1. Challenges in identifying and using bioisosteres
                                                                                  1. Overview of Medicinal Chemistry
                                                                                  First Page
                                                                                  3. Drug Discovery Process