Medicinal Chemistry
A section of Pharmaceuticals (ISSN 1424-8247).
Section Information
The section of Medicinal Chemistry welcomes manuscripts involving aspects within the definition of medicinal chemistry related to the invention, discovery, design, identification and preparation of biologically active compounds, the study of their metabolism, the interpretation of their mode of action at the molecular level and the construction of structure-activity relationships. Novel strategies and methodologies with relevant application to chemical biology and medicinal chemistry are also welcome.
Our aim is to publish updated reviews as well as research articles with comprehensive theoretical and experimental details covering all aspects of small molecules as drug candidates e.g. drug discovery and design, combinatorial chemistry, structure-property correlations, molecular modelling and bioinformatics. Short communications are also accepted; therefore, there is no restriction on the length of a paper. Download Section Flyer
Keywords
- New synthetic routes for drug candidates
- Lead discovery and optimization methods; structure–activity relationships and QSAR
- Structure-based drug design, molecular modelling, docking studies and crystal structure analysis
- Identification and validation of novel drug targets, and high-throughput screening
- Virtual screening, database mining, and machine learning in drug discovery
- Role of ADMET in drug discovery
- Chemical biology and chemical probes
Editorial Board
Topical Advisory Panel
Special Issues
Following special issues within this section are currently open for submissions:
- Multitargeted Compounds: A Promising Approach in Medicinal Chemistry (Deadline: 25 November 2025)
- Synthesis, In Silico Prediction and Antitumor Activity of Nitrogen Heterocycle-Based Drug Development (Deadline: 25 November 2025)
- The Development and Application of Broad-Spectrum Antiviral Drugs (Deadline: 25 November 2025)
- Recent Advances in the Discovery and Development of Drugs for Civilization Diseases, 2nd Edition (Deadline: 25 November 2025)
- Targeting Bacterial Metabolism with Natural and Synthetic Inhibitors (Deadline: 25 November 2025)
- Advances in Hydrazone Compounds with Anticancer Activity (Deadline: 25 November 2025)
- Small Molecules to Fight Cancer and Neurodegenerative Diseases (Deadline: 25 November 2025)
- Research on Diagnosis, Treatment and Related Microbiota in Gastrointestinal Diseases (Deadline: 25 November 2025)
- Biosimilars Development Strategies (Deadline: 25 November 2025)
- Boron-Containing Compounds: Identification, Synthesis, Biological Actions and Pharmacology (Deadline: 28 November 2025)
- Emerging Computational Approaches in Drug Discovery and Design (Deadline: 30 November 2025)
- QSAR and Chemoinformatics in Drug Design and Discovery (Deadline: 15 December 2025)
- Antifungal Therapy Strategies: A Focus on Novel Compounds and Inhibitors (Deadline: 15 December 2025)
- Structural and Computationally Driven Molecule Design in Drug Discovery: 2nd Edition (Deadline: 20 December 2025)
- Secondary Metabolites as Drug Leads: Bridging Experimental Discovery and Computational Innovation (Deadline: 25 December 2025)
- Mathematical Modeling in Drug Metabolism and Pharmacokinetics (Deadline: 25 December 2025)
- The Nuclear Factor Kappa-B (NF-κB) Pathway as a Target for Drug Discovery (Deadline: 25 December 2025)
- Hybrid and Chimeric Heterocycles: A Promising Approach to Synthesizing Biologically Active Compounds (Deadline: 25 December 2025)
- Common Medications Used in Anesthesia (Deadline: 25 December 2025)
- Inhibition and Treatment in Adhesion, Migration, Invasion, and Metastasis of Cancer Cells (Deadline: 25 December 2025)
- Novel Drug Targets and Drug Candidates for Neglected Tropical Diseases (Deadline: 26 December 2025)
- Chirality in Drugs (Deadline: 26 December 2025)
- Advances in Enzyme Inhibitors and Protein Degraders as Anticancer Agents (Deadline: 31 December 2025)
- Selective Histone Deacetylase Isoforms as Potential Therapeutic Targets (Deadline: 31 December 2025)
- Heterocyclic Chemistry in Modern Drug Development (Deadline: 31 December 2025)
- Green Synthesis and Biological Evaluation of Nitrogen-Containing Heterocycles (Deadline: 31 December 2025)
- Novel Heterocyclic Compounds as Potential Anti-Inflammatory and/or Anticancer Agents (Deadline: 31 December 2025)
- Novel Developments in Antileishmanial and Antitrypanosomal Agents (Deadline: 31 December 2025)
- Next-Generation Antinfective Agents (Deadline: 31 December 2025)
- Advances in the Synthesis and Application of Heterocyclic Compounds (Deadline: 31 December 2025)
- Immunomodulatory Drugs for Autoimmune Diseases: Mechanisms, Development and Clinical Translation (Deadline: 1 January 2026)
- Therapeutic Potential of Aldehyde Dehydrogenases (Deadline: 25 January 2026)
- A Commemorative Special Issue in Honor of Professor Carlos Alberto Manssour Fraga: Medicinal Chemistry’s Efforts to Discover Novel Bioactive Molecules for Complex Diseases (Deadline: 25 January 2026)
- Advances in Hybrid Anticancer Drugs: Innovations and Therapeutic Potential (Deadline: 25 January 2026)
- Dysregulation of Cyclic AMP and Cyclic PIP Synthesis: Implications for Disease and Advances in Therapeutic Development (Deadline: 25 January 2026)
- Current Advances, Applications and Future Development of Transition Metal Complexes, 2nd Edition (Deadline: 25 January 2026)
- Enzyme Inhibitors: Potential Therapeutic Approaches, 2nd Edition (Deadline: 30 January 2026)
- Application of Computer Simulation in Drug Design (Deadline: 31 January 2026)
- Antibiotic Resistance in Gram-Negative Bacteria: The Threat from the Pink Corner, 2nd Edition (Deadline: 31 January 2026)
- Heterocyclic Compounds in Targeted Cancer Therapy: Advances in Medicinal Chemistry and Drug Development (Deadline: 31 January 2026)
- Research on Guanidine-Based Drugs: Synthesis, Antiparasitic, Antifungal, Antiviral, and Anticancer Activities (Deadline: 31 January 2026)
- Dopamine Receptor: Novel Opportunities for Drug Developments (Deadline: 31 January 2026)
- Design, Synthesis and Biological Evaluation of Small Molecules for the Treatment of Solid Tumors (Deadline: 31 January 2026)
- Click Chemistry-Aided Drug Discovery (Deadline: 15 February 2026)
- Heterocyclic Compounds in Medicinal Chemistry, 2nd Edition (Deadline: 20 February 2026)
- Medicinal Chemistry of Thiazine and Oxazine Derivatives: Trends and Future Directions as Therapeutic Drugs (Deadline: 22 February 2026)
- Treatment and Molecular Mechanisms of Depression (Deadline: 25 February 2026)
- Therapeutic Potential of Silver Nanoparticles (AgNPs), 2nd Edition (Deadline: 25 February 2026)
- New Perspective of Antiviral Drugs (Deadline: 28 February 2026)
- Therapeutic Applications of Histone Deacetylase (HDAC) Inhibitors (Deadline: 28 February 2026)
- Pyrazole and Its Derivatives: Drug Design, Synthesis, and Biological Evaluation (Deadline: 28 February 2026)
- Integrating Machine Learning (ML) into Medicinal Chemistry and Cheminformatics, 2nd Edition (Deadline: 28 February 2026)
- Triazole and Derivatives in Medicinal Chemistry, 2nd Edition (Deadline: 15 March 2026)
- Metal-Based Nanoparticles’ Biological Activity and Pharmaceutical Applications, 2nd Edition (Deadline: 25 March 2026)
- Immunogenomics for Drug Discovery in Leukemia (Deadline: 25 March 2026)
- Crystal Engineering in the Pharmaceutical Sciences (Deadline: 25 March 2026)
- Organochalcogen Derivatives in Medicinal Chemistry (Deadline: 25 March 2026)
- Advances in the Medicinal Synthesis of Bioactive Compounds (Deadline: 25 March 2026)
- Expanding the Cancer Drug Discovery Toolbox: A Focus on Protein Degradation, Allosteric Modulation, and Covalent Inhibition (Deadline: 25 March 2026)
- Applications and Perspectives of Metal Chelators and Metal Complexes in Drug Development (Deadline: 25 March 2026)
- Molecular Systems for the Delivery of Drugs and Contrast Agents, 2nd Edition (Deadline: 27 March 2026)
- Structural Insights into Protein Kinases-Targeted Therapies: Overcoming Resistance and Advancing Precision Oncology (Deadline: 27 March 2026)
- Synthesis and Biological Activity of Metal Complexes (Deadline: 31 March 2026)
- Design, Synthesis and Pharmacological Evaluation of Novel Opioid/Non-Opioid Hybrid Compounds (Deadline: 31 March 2026)
- Antimicrobial and Anticancer Scaffolds in Medicinal Chemistry (Deadline: 31 March 2026)
- Advances in Small-Molecule Therapeutics Targeting Signaling Pathways (Deadline: 31 March 2026)
- A Commemorative Special Issue in Honor of Professor Eliezer J. Barreiro: Early Drug Discovery: From Target Identification and Validation to Lead Optimization (Deadline: 31 March 2026)
- Peptide-Based Drug Discovery: Innovations and Breakthroughs (Deadline: 31 March 2026)
- Design and Synthesis of Compounds with Potential Anti-Inflammatory Activity (Deadline: 22 April 2026)
- Medicinal Chemistry of Metal Complexes: Design, Synthesis and Evaluation (Deadline: 24 April 2026)
- Combating Drug Resistance in Cancer (Deadline: 25 April 2026)
- Natural Products with Anticancer Activity (Deadline: 25 April 2026)
- Therapies for Autoimmune Diseases (Deadline: 25 April 2026)
- Cholinesterases—Structure, Mechanism, Function and Drug Discovery (Deadline: 25 April 2026)
- Synthesis and Anticancer Activity of Biologically Active Heterocyclic Compounds (Deadline: 25 April 2026)
- Design and Development of PLGA and Polysaccharide Microparticles (Deadline: 25 April 2026)
- Computer-Aided Drug Design and Drug Discovery, 2nd Edition (Deadline: 25 April 2026)
- Advances in the Treatment of Leukemia, Lymphomas and Plasma Cell Disorders (Deadline: 25 April 2026)
- Effects of Drug Abuse and Its Consequences on Health (Deadline: 30 April 2026)
- Advances in Medicinal Chemistry: 2nd Edition (Deadline: 30 April 2026)
- Innovative Organic Synthesis Approaches in Drug Design and Development (Deadline: 30 April 2026)
- Innovative Computational and Experimental Strategies in Antimicrobial Drug Discovery (Deadline: 10 May 2026)
- Metals in Cancer Research: Beyond Platinum Metallodrugs (Deadline: 15 May 2026)
- Antidiabetic Agents: New Drug Discovery Insights and Prospects (Deadline: 25 May 2026)
- Therapeutic Methods Against Acute and Chronic Diseases and Oxidative Stress (Deadline: 25 May 2026)
- Metal Complexes in Medicinal Chemistry: From Coordination Chemistry to Pharmaceutical Applications (Deadline: 25 May 2026)
- Artificial Intelligence-Assisted Drug Discovery (Deadline: 25 May 2026)
- Computational Methods in Drug Development (Deadline: 26 May 2026)
- Sex Differences in Pharmaceutical Practice: 2nd Edition (Deadline: 28 May 2026)
- Small Molecule Drug Discovery: Driven by In-Silico Techniques (Deadline: 29 May 2026)
- Pharmacotherapy of Dyslipidemias, 2nd Edition (Deadline: 29 May 2026)
- Drug Candidates for the Treatment of Obesity, 3rd Edition (Deadline: 31 May 2026)
- Pharmacological Treatments for Parasitic Diseases (Deadline: 31 May 2026)
- Novel Anticancer Drug Development and Toxicity Reduction Strategies (Deadline: 31 May 2026)
- Anti-Fbibrosis Agent Development (Deadline: 31 May 2026)
- Allosteric Modulators: Unlocking New Dimensions from Molecular Discovery to Therapeutic Potential (Deadline: 20 June 2026)
- Selected Papers from the 1st International Electronic Conference on Medicinal Chemistry and Pharmaceutics (ECMC-P2025) (Deadline: 30 June 2026)
Topical Collections
Following topical collections within this section are currently open for submissions:
