Medicinal Chemistry
A section of Molecules (ISSN 1420-3049).
Section Information
The Medicinal Chemistry Section of the journal Molecules publishes original research and review articles that increase our understanding of how the chemical structure of bioactive molecules determines their pharmacodynamic, pharmacokinetic, and physicochemical properties and, hence, their therapeutic potential. In particular, this Section mainly invites contributions that report on:
-The design, synthesis, chemical characterization1, and biological evaluation of novel compounds against biological targets of therapeutic, diagnostic, or theranostic interest, and/or the assessment of their physicochemical and pharmacokinetic properties;
-The isolation from herbal plants and separate biological characterization of individual bioactive compounds and/or their semisynthetic derivatives;
-Hit-to-lead projects that lead to a significant optimization of potency, or physicochemical and/or pharmacokinetic properties;
-Computational2, molecular biology, and/or structural biology studies that shed light on the structure and function of biological targets of therapeutic, diagnostic, or theranostic interest and on their interaction with known or novel compounds, thereby enabling the rational design of optimized ligands;
-Computational2 and biological studies of known drugs or their derivatives that address their interaction with novel biological targets for repositioning purposes;
-Novel synthetic, computational2, or biological methodologies of relevance in medicinal chemistry;
-Development and application of materials for medicinal chemistry purposes, such as drug delivery and drug targeting.
Manuscripts that report on the biological evaluation of mixtures of compounds, such as plant extracts, or purely pharmacological studies that look deeper into the standard action of well-established drugs will normally not be considered for publication in this Section.
1 Authors are encouraged to present additional data and files about the purity and characterization of new compounds that are auxiliary to the main content of the article. The goal is to keep the main body of the article concise but also provide detailed information that increases reproducibility and availability of presented research. Examples include (but are not limited to) NMR spectra, or routine preparations of substrates. All new entities must be fully characterized by appropriate analytical methods with sufficient evidence for composition, structure, and purity. The identity and bulk purity of compounds and materials should be verified with elemental analysis or other appropriate methods.
2 Manuscripts that mainly describe computational studies need to be accompanied by experimental validation. For QSAR or molecular docking modeling, a sufficient number of new compounds should be included and discussed. Molecular docking or other modeling methods that lead to predictions of bioactivity or other properties of interest must be accompanied by experimental data that demonstrate the reasonableness of the computation. As with chemical and biological methods, authors should present sufficient information to allow computational methods to be reproduced and tested in other laboratories.
Editorial Board
Topical Advisory Panel
Special Issues
Following special issues within this section are currently open for submissions:
- Strategies in the Design and Development of Antiviral Drugs (Deadline: 30 June 2024)
- Synthesis and Structure–Activity Relationship of Anti-neurodegenerative Agents (Deadline: 30 June 2024)
- Natural Product in Drug Discovery: Chem-Bioinformatic and Bioactive Compounds Identification (Deadline: 30 June 2024)
- Indoles as Promising Scaffold for Drug Discovery: Synthesis, Bioactivities and Applications (Deadline: 30 June 2024)
- Bioactive Small Molecules: Design, Synthesis, and Applications (Deadline: 30 June 2024)
- Metal Nanoparticles for a New Generation of Antibacterial Agents (Deadline: 30 June 2024)
- Dopamine Receptors and Neurodegeneration (Deadline: 30 June 2024)
- Small Molecules in Antimicrobial and Anti-quorum Sensing Drug Discovery: Experimental and Computational Approaches (Deadline: 30 June 2024)
- Heterocycles in Medicinal Chemistry II (Deadline: 30 June 2024)
- Molecular Imaging in Drug Research (Deadline: 30 June 2024)
- The Design, Synthesis, and Biological Activity of New Drug Candidates (Deadline: 30 June 2024)
- Nanoparticles in Cellular Drug Delivery (Deadline: 30 June 2024)
- Design, Synthesis and Evaluation of Small Molecule Drugs (Deadline: 30 June 2024)
- Anti-Obesity Drug Discovery: Recent Advances and Future Perspectives (Deadline: 30 June 2024)
- New Advances in Radiopharmaceutical Sciences (Deadline: 30 June 2024)
- Metabolism and Pharmacokinetics of Drugs (Deadline: 30 June 2024)
- Peptides and Small Molecules as Anti-Cancer Agents II (Deadline: 30 June 2024)
- Tumor-Resident Microbes and Small Molecular Anti-Cancer Drugs in Tumor Microenvironment (Deadline: 30 June 2024)
- Discovery of Small Molecules for Cancer Therapy: Current Challenges, Recent Trends, and Future Perspectives (Deadline: 30 June 2024)
- Plant-Derived Phenolic Compounds: From Molecular Mechanisms to Clinical Application II (Deadline: 30 June 2024)
- Cancer Drug Delivery in the Nano Era (Deadline: 30 June 2024)
- Cell-Penetrating Peptides: A Promising Tool for Drug Delivery (Deadline: 30 June 2024)
- Recent Advances in Lysozyme (Deadline: 30 June 2024)
- Discovery of Enzyme Inhibitors from Natural Products II (Deadline: 30 June 2024)
- Molecules4Life—First International Meeting (Deadline: 30 June 2024)
- Discovering New Drug Targets for Neurodegenerative Disorders (Deadline: 30 June 2024)
- Advances in Antibacterial Molecules (Deadline: 30 June 2024)
- 3D Printing Technique for the Manufacturing of Drug Delivery Systems (Deadline: 31 July 2024)
- Novel Insights toward the Development of New Drugs (Deadline: 31 July 2024)
- Featured Papers in Medicinal Chemistry II (Deadline: 31 July 2024)
- Chemopreventive and Antioxidant Activity of Plant Extracts and Other Phytochemical Compounds (Deadline: 31 July 2024)
- Progress in Drug Development for Inflammatory Diseases (Deadline: 31 July 2024)
- Antibacterial Drug Discovery: Chemical Challenges and Opportunities (Deadline: 31 July 2024)
- Applications of Biomolecular Structure and Interaction in Biomedical Studies (Deadline: 31 July 2024)
- Bioinformatic and Biochemical Identification of Phytochemical Drug Candidates (Deadline: 31 July 2024)
- Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry (Deadline: 31 July 2024)
- Design and Synthesis of Novel Anti-Inflammatory Agents (Deadline: 31 July 2024)
- Recent Advances in Fluorescent Probes and Theranostics (Deadline: 31 July 2024)
- The Chemical Immobilization and Inactivation of SARS-CoV-2 (Deadline: 31 July 2024)
- Medicinal Plants and Industrial Crops: Phytochemistry and Metabolic Diseases II (Deadline: 31 July 2024)
- Drug Candidates for Inflammatory Diseases (Deadline: 31 July 2024)
- Veterinary Drugs—2nd Edition (Deadline: 31 July 2024)
- New Therapeutic Tools against MDR Tumors: Discovery, Synthesis and Evaluation of Bioactive Compounds (Deadline: 31 July 2024)
- Supramolecular and Coordination Metal-Based Molecules for Biomedical Applications (Deadline: 31 July 2024)
- Small-Molecule Inhibitors of Tubulin Polymerization: Recent Advances (Deadline: 31 July 2024)
- Design, Synthesis and Biological Evaluation of Novel Small Molecules Inhibitors (Deadline: 31 July 2024)
- Anticancer Drug Discovery and Development II (Deadline: 31 July 2024)
- Synthesis and Biologically Relevant Heterocyclic Compounds (Deadline: 31 July 2024)
- Design, Synthesis and Applications of Bioactive Compounds (Deadline: 31 July 2024)
- Small Molecules as Targeted Anticancer Agents (Deadline: 31 July 2024)
- Novel Chemical and Biological Agents in the Treatment of Pain and Substance Use Disorders (Deadline: 31 July 2024)
- New Strategies and Approaches in Polypharmacology (Deadline: 31 July 2024)
- Recent Advances in Micro- and Nanoencapsulation of Bioactive Compounds 2.0 (Deadline: 31 July 2024)
- Novel Targeted Radiopharmaceuticals for Diagnosis and Therapy (Deadline: 31 July 2024)
- Synthesis and Evaluation of Bioactivity of Enzyme Inhibitors (Deadline: 29 August 2024)
- Radiotracers in Drug Discovery and Development (Deadline: 30 August 2024)
- Basic Research of Immunological Roles and Molecular Mechanisms of Cytokines in Inflammation (Deadline: 31 August 2024)
- Small Molecule Compounds for Drug Designs (Deadline: 31 August 2024)
- Application of Spectroscopy for Drugs (Deadline: 31 August 2024)
- Targeted Cancer Therapy: Small Molecules and Immunotherapy (Deadline: 31 August 2024)
- Nanomaterials in Bioapplications: Innovations and Challenges (Deadline: 31 August 2024)
- Identification of Small Molecules Able to Interfere with Biological Targets Involved in Cancer Pathology (Deadline: 31 August 2024)
- Design, Synthesis and Biological Activity of Novel Antitumor Drugs (Deadline: 31 August 2024)
- Pharmaceutical Nanotechnology: Drug Delivery Challenges (Deadline: 31 August 2024)
- Editorial Board Members’ Collection Series: Multitarget-Directed Ligands for the Treatment of Multifactorial Diseases (Deadline: 31 August 2024)
- Novel Agents in Photodynamic Therapy (Deadline: 31 August 2024)
- Chemistry and Health: Nitrogen Heterocycle Chemistry and Medicinal Chemistry (Deadline: 31 August 2024)
- Second Edition of Medicinal Chemistry in Asia (Deadline: 15 September 2024)
- Targeted Functional Probe: Current Research Trends and Applications (Deadline: 30 September 2024)
- Synthesis, Biotransformation and Neuronal Effects of Heterocyclic Compounds (Deadline: 30 September 2024)
- Emerging Horizons in Drug Discovery: Unveiling the Synergy of Ligand-Based and Structure-Based Methods (Deadline: 30 September 2024)
- Bioactive Compounds in Food: Analysis and Human Health (Deadline: 30 September 2024)
- Multifunctional Nanomaterials for Bioapplications, 2nd Edition (Deadline: 30 September 2024)
- Antioxidants from Natural Sources: Identification and Biological Activities (Deadline: 30 September 2024)
- Anti-inflammatory Molecules (Deadline: 30 September 2024)
- Design, Synthesis and Structure-Activity Relationship of Biologically Active Inhibitors (Deadline: 30 September 2024)
- Naturally Inspired Molecules as Inhibitors in Drug Discovery (Deadline: 30 September 2024)
- Development, Bioactivity, and Application of New Antimicrobial Peptides (Deadline: 30 September 2024)
- Small Molecule Hybrids for Anticancer and Antiviral Therapy (Deadline: 30 September 2024)
- Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 3rd Edition (Deadline: 30 September 2024)
- Chemical Synthesis of Radioligands for Therapeutics (Deadline: 30 September 2024)
- The State-of-the-Art in Improving the Antitumor Efficacy of Platinum Drugs (Deadline: 20 October 2024)
- Antiproliferative Activities of Natural and Synthetic Compounds (Deadline: 31 October 2024)
- Bioactive Compounds for Brain Ischemia and Neurodegenerative Disease—Second Edition (Deadline: 31 October 2024)
- Synthesis of Heterocyclic Compounds via Cycloadditions: Applications in Medicinal Chemistry (Deadline: 31 October 2024)
- Heterocyclic Bioactive Small Molecules: Advances in Structure Analysis and Drug Discovery in Heterocyclic Chemistry (Deadline: 31 October 2024)
- New Insights into Radiopharmaceuticals (Deadline: 31 October 2024)
- Recent Approaches towards the Development of Novel Agents for Photodynamic Therapy (Deadline: 31 October 2024)
- Medicinal Chemistry Advances in Neurodegenerative Disease Therapy (Deadline: 31 October 2024)
- Synthesis of Anticancer Compounds (Deadline: 31 October 2024)
- Heteroaromatic Compounds: Design, Synthesis and Biological Activity (Deadline: 31 October 2024)
- Advances of Enzyme Inhibitors and Activators in Drug Research (Deadline: 31 October 2024)
- The Discovery of Novel Anti-tumor Drugs (Deadline: 31 October 2024)
- Advanced Functional Nanomaterials in Medicine and Health Care (Deadline: 31 October 2024)
- Ligands and Conformational Changes in Receptors (Deadline: 31 October 2024)
- Nanoparticle-Based Drug Delivery Systems (Deadline: 31 October 2024)
- Design and Drug Screening of Targeted Proteins Inhibitor (Deadline: 31 October 2024)
- Application of Natural or Synthetic Products in Computer-Aided Drugs (Deadline: 31 October 2024)
- Novel Inhibitors: Design, Synthesis, Biological Activities and Modelling Studies (Deadline: 31 October 2024)
- Lead Compounds Discovery and Antitumor Drug Design (Deadline: 30 November 2024)
- Developing Drug Strategies for the Neuroprotective Treatment: 2nd Edition (Deadline: 30 November 2024)
- Heterocyclic Compounds: Synthesis and Medicinal Chemistry Applications (Deadline: 30 November 2024)
- Fluorescence Probes as Disease Molecular Diagnosis (Deadline: 30 November 2024)
- Design, Synthesis and Biological Evaluation of Medicinal Potential Compounds (Deadline: 30 November 2024)
- Cutting-Edge Studies of Computational Approaches in Drug Discovery (Deadline: 30 November 2024)
- Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, and New Hopes, 2nd Edition (Deadline: 30 November 2024)
- Metal Complexes as Potential Therapeutic Agents (Deadline: 30 November 2024)
- Advances in Targeted Delivery of Nanomedicines (Deadline: 30 November 2024)
- Natural Products and Microbiology in Human Health (Deadline: 30 November 2024)
- Drug Design and Development for Dementia, Epilepsy, and Other Neurological Disorder Diseases (Deadline: 15 December 2024)
- NSAIDs and Their Derivatives in Medicinal Chemistry (Deadline: 31 December 2024)
- Novel Design and Synthesis of Anticancer Agents (Second Edition) (Deadline: 31 December 2024)
- Unlocking the Formulation Potential of Cyclodextrins and Their Derivatives—Volume II (Deadline: 31 December 2024)
- Coordination Complexes of 3d Metals as Anticancer, Antiviral, Antimicrobial, Antifungal and Anti-inflammatory Agents (Deadline: 31 December 2024)
- G-quadruplexes in Chemical Biology and Drug Discovery (Deadline: 31 December 2024)
- Chemical Design and Synthesis of Antimicrobial Drugs (Deadline: 31 December 2024)
- Peptide Chemistry: Recent Trends and Advancements (Deadline: 31 December 2024)
- Small-Molecule Inhibitors: Synthesis, Cytotoxicity and Biological Activities (Deadline: 31 December 2024)
- Molecular Approaches to Drug Discovery and Development (Deadline: 31 December 2024)
- Recent Advances in Development of Small Molecules to Fight Cancer—Volume II (Deadline: 31 December 2024)
- Anticoagulant and Antithrombotic Therapy (Deadline: 31 December 2024)
- Strategies of Molecular Targeting in Research of Neglected Tropical Diseases with Chemical Compounds or Agents (Deadline: 31 December 2024)
- Nature-Inspired Antitumor Agents, 2nd Edition (Deadline: 31 December 2024)
- Synthesis of Bioactive Compounds: Spectroscopic, Crystallographic and Computational Studies (Deadline: 31 December 2024)
- Small Molecules in Drug Discovery: Screening Techniques and Drug Design (Deadline: 31 December 2024)
- The Role of Peptides and Peptidomimetics in Drug Discovery (Deadline: 31 December 2024)
- Design, Synthesis, and Analysis of Potential Drugs, 3rd Edition (Deadline: 31 December 2024)
- Novel Compounds in the Treatment of the CNS Disorders II (Deadline: 31 December 2024)
- Synthesis of Natural or Non-natural Molecules with Specific Activities (Deadline: 31 December 2024)
- The Machine Learning, Applications in the Discovery of New Bioactive Molecules, 2nd Edition (Deadline: 31 January 2025)
- Advances in Chemistry of Cosmetics (Deadline: 28 February 2025)
- Research Progress of New Antimicrobial Drugs (Deadline: 28 February 2025)
Topical Collections
Following topical collections within this section are currently open for submissions:
- Antibiotics & Superbugs: New Strategies to Combat Antimicrobial Resistance
- Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes (Closed)
- Efficient Pharmaceutical and Chemical Approaches for Anticancer Therapy: Design, Preliminary Evaluations, and Further Developments
- Herbal Medicine Research (Closed)
- Molecular Docking (Closed)
- Molecular Medicine (Closed)
- Nanomedicine (Closed)
- Novel Approache of Anticancer Therapy (Closed)
- Poorly Soluble Drugs (Closed)