Medicinal Chemistry

Papers
(The median citation count of Medicinal Chemistry is 2. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-05-01 to 2026-05-01.)
ArticleCitations
Substituted 4H-3,1-benzoxazine-4-one Derivatives as Inhibitors of Cathepsin G54
Recent Advances in the Biological Profiles of Fluorine-Containing Pyridine and its Derivatives: A Brief Overview52
Exploring Recent Advances in the Pharmacological Activities of Pyrazole Compounds: A Comprehensive Review49
Exploration of Fluorine-Containing Biguanide Analogues with Various Branches: Their Design, Synthesis, and Anti-Proliferative Mechanisms38
New Route to the Synthesis of Novel Pyrazolo[1,5-a]pyrimidines and Evaluation of their Antimicrobial Activity as RNA Polymerase Inhibitors37
A Search for New Amidrazone Derivatives Containing 4-Oxybut-2-enoic Acid Moiety as Antibacterial Agents36
2-Substituted Benzoxazoles as Potent Anti-Inflammatory Agents: Synthesis, Molecular Docking and In vivo Anti-Ulcerogenic Studies34
Identification of Potential Dual HDAC6 and HSP90 Inhibitors for the Treatment of Cancer using Molecular Docking, Molecular Dynamics and MM/PBSA Studies: A Comprehensive In Silico Study32
Pyrazolo - Pyrimidines as Targeted Anticancer Scaffolds - A Comprehensive Review24
A Comprehensive Review: Synthesis and Pharmacological Activities of 1,3,4-Oxadiazole Hybrid Scaffolds24
Potential Inhibitors of SARS-CoV-2 Developed through Machine Learning, Molecular Docking, and MD Simulation22
Synthesis, Antimicrobial Activity, DFT, Molecular Docking, and Dynamic Simulations of Trityl Mannopyranoside Derivatives for Potential Antibacterial Agents22
Promising Molecular Targets Related to Polyamine Biosynthesis in Drug Discovery against Leishmaniasis21
Preface20
Incorporating Antimicrobial Activity During Synthesis of New Acid-Azo Dyes: Thermal Stability and Application on Various Fabrics19
Design, Synthesis, in silico and in vitro Evaluation of New Combretastatin A-4 Analogs as Antimitotic Antitumor Agents18
Synthesis, Docking, and Biological Studies of Pyrazine Derivatives as Antimycobacterial Agents18
A Review of the Medicinal Importance and Perspectives of the 2-isoxazoline Scaffold18
The Catalysts-Based Synthetic Approaches to Quinolines: A Review17
GPR18 and GPR55-related Ligands Serving as Antagonists or Agonists: Current Situation, Challenges and Perspectives17
Targeting Breast Cancer: Novel Dihydropyrimidinones As Potent Eg5 Inhibitors16
Preface16
Pyrazoline Derivatives: Exploring the Synthesis and Development of New Ligands for Anti-Cancer Therapy15
Synthesis and Structural Activity Relationship Study of Ursolic Acid Derivatives as Antitubercular Agent15
Synthesis and Bio-evaluation of 2-Alkyl Substituted Fluorinated Genistein Analogues against Breast Cancer15
Blueberries and Their Polyphenols: A Review of the Evidence and the Potential Impact on Inflammation, Oxidative Stress, Vascular and Cardiometabolic Function15
Abrogating Oxidative Stress as a Therapeutic Strategy Against Parkinson’s Disease: A Mini Review of the Recent Advances on Natural Therapeutic Antioxidant and Neuroprotective Agents14
An Explicative Review on the Progress of Quinazoline Scaffold as Bioactive Agents in the Past Decade14
WITHDRAWN: Bismuth(III) Complexes with Schiff Bases: Synthesis, Characterization, Interaction with Biomolecules, Antioxidant and Antimicrobial Activity13
Novel Caffeic Acid - Zinc Acetate Complex: Studies on Promising Antidiabetic and Antioxidative Synergism Through Complexation13
Synthesis, Characterization, and In Vitro and In Silico Studies of New Triazole Derivatives as Aromatase Inhibitors12
Integrating Machine Learning and Pharmacophore Features for Enhanced Prediction of H1 Receptor Blockers12
Design and Synthesis of Novel Celecoxib Analogues with Potential Cytotoxic and Pro-apoptotic Activity against Breast Cancer Cell Line MCF-712
Exploring Phytochemicals as Potential Inhibitors of Cancer Cell Metabolic Pathways: A Computational Study11
1,3,4-Thiadiazole: A Versatile Pharmacophore of Medicinal Significance11
Synthesis and Antiproliferative Activity Evaluation of B-norcholesterol-6- amide Compounds11
Revisiting Purine Nucleoside Cholinesterase Inhibitors - An Experimental Glycon Structure/Activity Relationship Study11
Application and Progress of Machine Learning in Pesticide Hazard and Risk Assessment11
Developing Safer Anticoagulant Candidates: Structure-Activity Relationship Studies of 5-Amino-Triazole-Based FXIIa Inhibitors11
Recent Advances in Nitrogen-Containing Heterocyclic Scaffolds as Antiviral Agents10
Synthesis, Molecular Docking Studies and Biological Evaluation of Thiazolyl Hydrazone Derivatives of Chromone-3-carbaldehyde as Potent Anti-Oxidant and Anti-Inflammatory Agents10
New Approach as Inhibitor Against Head-Neck Cancer by In silico, DFT, FMOs, Docking, Molecular Dynamic, and ADMET of Euphorbia tirucalli (Pencil Cactus)9
In Vitro Evaluation of p-Toluenesulfonyl Hydrazones as Anti-Trypanosoma cruzi and Leishmanicidal Agents9
Diaryl Ether Derivatives as Dual Inhibitors of Selective COX-2 and EGFR: Synthesis, In silico, and In Vitro Analysis9
Nitrogen-fused Heterocycles: Empowering Anticancer Drug Discovery9
Computational Screening, ADME Study, and Evaluation of Benzothiazole Derivatives as Potential Anticancer Agents9
Would the Development of a Multitarget Inhibitor of 3CLpro and TMPRSS2 be Promising in the Fight Against SARS-CoV-2?9
Antioxidant and Antimicrobial Potential, BSA and DNA Binding Properties of Some 3-Hydroxy-3-Pyrrolin-2-Ones Bearing Thenoyl Fragment9
Structural Scaffolds as Anti- Alzheimer Agents9
Efficient Synthesis of Mannopyranoside-based Fatty Acyl Esters: Effects of Acyl Groups on Antimicrobial Potential9
Synthesis and Antibacterial Evaluation of Novel Small-Molecule Antibacterials of a Reduced Acridine Structure in S. aureus Strains Including MRSA8
Synthesis and Biological Evaluation of Novel 2-imino-4-thiazolidinones as Potential Antitumor Agents for Glioblastoma8
Design, Synthesis and Biological Evaluation of Novel N-Alkyl-4-Methyl-2,2- Dioxo-1H-2λ6,1-Benzothiazine-3-Carboxamides as Promising Analgesics8
Synthetic Methods for Various Chromeno-fused Heterocycles and their Potential as Antimicrobial Agents8
Expanding Therapeutic Horizons with Indazole-Based Compounds: A Review of Anticancer, Antimicrobial, and Neuroprotective Applications8
Structure-Based Discovery of Potent Staphylococcus aureus Thymidylate Kinase Inhibitors by Virtual Screening8
Discovery of Novel 1,3,4-oxadiazole-based Inhibitors Against Urease and Diabetes: Design, Synthesis, SAR, Biological, and Molecular Docking Screening8
Screening of Novel Inhibitors Targeting the Non-ATP-binding Domain of Staphylococcus aureus SecA18
In-silico Investigations for the Identification of Novel Inhibitors Targeting Hepatitis C Virus RNA-dependent RNA Polymerase8
Acknowledgements to Reviewers8
Current Research on Pro-drug Therapies for Parkinson's and Alzheimer's Disease7
In Silico Analysis and Molecular Docking of Human Antimicrobial Peptides for Targeting Monkeypox Virus: Potential Therapeutic Implications of Histatin 5 Peptide7
Promising Potential of Curcumin and Related Compounds for Antiviral Drug Discovery7
Synthesis and Evaluation of Antibacterial and Antifungal Activities In vitro and In silico of Novel Morpholinoalkoxychalcones7
Antioxidant and Cytotoxic Activity of the Aporphine Alkaloid (Boldine) Against DMH-induced Colorectal Carcinogenesis in Wistar Rats: An In silico, In vitro, and In vivo study7
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance7
Design, Synthesis and Anticonvulsant Activity of Cinnamoyl Derivatives of 3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1-(2H)-one Oxime7
Design and Synthesis of (2,3-dichloro-4-(3-(substituted Phenyl)acryloyl) phenoxy) Substituted Carboxylic Acid as Potent Glutathione-s-transferase Inhibitors, Anti-breast-cancer Agents and Enhancing Th7
Quinolones: The Cornerstone of the Advanced Era in Therapeutics7
In silico Study of Novel Tryptanthrin-Based Topoisomerase Inhibitors7
Unveiling the Anti-cancer Potential of Oxadiazole Derivatives: A Comprehensive Exploration of Structure-Activity Relationships and Chemico-Biological Insights6
Effective Synthesis of Dopamine Dimer6
Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods6
Styrylquinolines Derivatives: SAR Study and Synthetic Approaches6
A Series of Trifluoromethylisoxazolyl- and Trifluoromethylpyrazolyl- Substituted (Hetero)aromatic Sulfonamide Carbonic Anhydrase Inhibitors: Synthesis, and Convenient Prioritization Workflow for Furth6
In Silico Discovery and Predictive Modeling of Novel Acetylcholinesterase (AChE) Inhibitors for Alzheimer's Treatment6
Exploring the Therapeutic Potential of Pyrazole-Based Scaffolds in Parkinson’s Disease: Recent Progress and SAR Insights6
A Review on the Development of Novel Heterocycles as α-Glucosidase Inhibitors for the Treatment of Type-2 Diabetes Mellitus6
Organocatalytic Synthesis and Antitumor Activity of Novel 1,2,3-triazoles Derived from Fatty β-ketoesters6
Platinum Group Metals against Parasites: State of the Art and Future Perspectives6
Identification of the First “Two Digit Nano-molar” Inhibitors of the Human Glyoxalase-I Enzyme as Potential Anticancer Agents6
Synthesis, Molecular Docking and ADME Prediction of 1H-indole/5- substituted Indole Derivatives as Potential Antioxidant and Anti- Inflammatory Agents5
Emerging Role of Natural Topoisomerase Inhibitors as Anticancer agents5
Synthesis of 4-styrylpyrazoles and Evaluation of their Inhibitory Effects on Cyclin-dependent Kinases5
Application of Iodine-Amine Oxidation Approach in the Synthesis of Various N-Alkyl Phosphoramidate Oligonucleotide Derivatives5
Study of Structurally Diverse Currently Used and Recently Developed Antimycobacterial Drugs5
Evaluation of Anticancer and Epidermal Growth Factor Receptor Inhibition Activity by Benzochromeno Pyrimidin Derivatives in Three Human Cancer Cell Lines5
Unveiling Indazole: Novel Synthetic Pathways and Biological Potentials5
Exploring the Therapeutic Marvels: A Comprehensive Review on the Biological Potential of Quinoline-5,8-Dione5
Unlocking the Multifunctional Therapeutic Potential of Herbacetin: A Flavone derived Scaffold5
Drug Resistance in the HIV-1 Subtype C Protease Enzyme: A High Throughput Virtual Screening Approach in Search of New Ligands with Activity5
Recent Advances in the Medicinal Chemistry of Cancer (Part II)5
Synthesis and Antibacterial Activity of Erythromycin 9-Acylhydrazone Derivates5
A Molecular Insight into Pyrazole Congeners as Antimicrobial, Anticancer, and Antimalarial Agents5
Acknowledgements to Reviewers5
Synthesis, Assessment of Antineoplastic Activity, and Molecular Docking of Novel 2-Thioxo-oxazolidin-4-one Derivatives4
Recent Developments in Azetidinone-Azole Conjugates: Emerging Antimicrobial Potentials4
Pyrazole Scaffolds: Centrality in Anti-Inflammatory and Antiviral Drug Design4
A Profound Insight into the Structure-activity Relationship of Ubiquitous Scaffold Piperazine: An Explicative Review4
Naphthofuran Derivative BF4, a New Potent SIRT1 Activator, Regulates Lipid Metabolism in 3T3-L1 Adipocytes via the SIRT1-AMPK Pathway4
In silico and In vitro Assessment of Dimeric Flavonoids (Brachydins) on Rhipicephalus microplus Glutathione S-transferase4
Synthesis of a Series of Novel 2-Amino-5-substituted 1,3,4-oxadiazole and 1,3,4-thiadiazole Derivatives as Potential Anticancer, Antifungal and Antibacterial Agents4
Recent Advances in N-Heterocycles for COVID-19 Treatment - A Mini Review4
Design, Synthesis and Biological Evaluation of Coumarin Derivatives as NEDD8 Activating Enzyme Inhibitors in Pancreatic Cancer Cells4
Bioisosterism in Drug Discovery and Development - An Overview4
Design, Synthesis, and Docking Studies of Thioimidazolyl Diketoacid Derivatives Targeting HIV-1 Integrase4
Quinoline: Synthesis to Application4
One-Pot Synthesis of Benzoxazoles: A Promising Approach to Aromatic Heterocyclic Compounds Preparation4
Multi-Targeted Molecular Docking and Drug-Likeness Evaluation of some Nitrogen Heterocyclic Compounds Targeting Proteins Involved in the Development of COVID-194
Synthesis, Antimicrobial Evaluation, and Interaction of Emodin Alkyl Azoles with DNA and HSA4
Natural Mimetic 4,6-Dihydroxyaurone Derivatives as Tyrosinase Inhibitors: Design, Synthesis, and Biological Evaluation4
Natural Products as a Major Source of Candidates for Potential Senolytic Compounds obtained by in silico Screening4
Pharmacochemical Study of Multitarget Amino Acids’ Hybrids: Design, Synthesis, In vitro, and In silico Studies4
Structure-Activity Relationships of Pyrimidine Derivatives and their Biological Activity - A Review3
A Step Towards Development and Bio-evaluation of a Novel Radio-ligand 99mTc-CYX-DTPA Targeting Sigma 2 Receptors3
Isatin Conjugates as Antibacterial Agents: A Brief Review3
Carbohydrates in Computational and Medicinal Chemistry3
Synthesis, Characterization, and in vitro Anti-Inflammatory Activity of Novel Ferrocenyl(Piperazine-1-Yl)Methanone-based Derivatives3
Synthesis and Biological Evaluation of Amino Acid and Peptide Conjugates of 5-Bromovaleric Acid3
Exploring Pyridine-Based Schemes: A Comprehensive Review on their Synthesis and Therapeutic Applications3
Design and Synthesis of 3-(Phenylsulfonamido)benzamide Derivatives as Potent Carbonic Anhydrase IX Inhibitors: Biological Evaluations and Molecular Modeling Studies3
Heterocyclic Derivatives in Parkinson’s Therapy: Recent Advances and Prospects3
Water Mediated One-Pot, Stepwise Green Synthesis, Anti-Inflammatory and Analgesic Activities of (3-Amino-1-Phenyl-1H-Benzo[f]Chromen-2-yl) (1H-Indol-3-yl) Methanone Catalysed by L-Proline3
A Computational Approach Using α-Carbonic Anhydrase to Find Anti-Trypanosoma cruzi Agents3
Identification of Natural Terpenoid Compounds as Potential Inhibitors of Nucleoprotein of Influenza A Virus using in silico Approach: ADMET, Molecular Docking, and Molecular Dynamic Simulation3
Research Progress of G Protein-coupled Receptor 52 on Central Nervous System Diseases3
A Complex Methodological Approach for the Screening of Efficient and Safe Cobalt Chelators3
Triple Action of Lignosulfonic Acid Sodium: Anti-protease, Antioxidant, and Anti-inflammatory Effects of a Polymeric Heparin Mimetic3
Synthesis, Biological Evaluation, and Docking Studies of Open-Chain Carbohydrate Amides as Acetylcholinesterase Inhibitors3
In silico Evaluation of Ferulic Acid Based Multifunctional Conjugates as Potential Drug Candidates3
Discovery of the PARP1 Inhibitors from Natural Compounds Using Structure-Based Virtual Screening and Bioactivity Evaluation3
Synthesis and Evaluation of Chiral Rhodanine Derivatives Bearing Quinoxalinyl Imidazole Moiety as ALK5 Inhibitors3
Diverse Pharmacological Potential of Pyridazine Analogs against Various Diseases3
Pharmacological Evaluation of Bioisosterically Replaced and Triazole- Tethered Derivatives for Anticancer Therapy3
Preface3
Inhibitors of Phosphatidylinositol-specific Phospholipase C wit h Myo-inositol Scaffold3
Pyridazinone: Current Progress in Synthesis of its Derivatives and Biological Activity3
Synthesis and SAR of Potential Anti-Cancer Agents of Quinoline Analogues: A Review3
Exploring Structural Requirement of Curcumin-Based CK2 Inhibitors as Anticancer Agents: 3D-QSAR, Pharmacophore Modeling, Virtual Screening, and Molecular Docking3
Synthesis and Molecular Docking of New N-Acyl Hydrazones- Benzimidazole as hCA I and II Inhibitors3
Curcumin-Based Virtual Screening Identifies Inhibitors of SARS-CoV-2 Spike Protein and ACE2 Receptor Binding3
Exploring Thiophene Derivatives: Synthesis Strategies and Biological Significance3
In Silico Studies of Phytoconstituents to Identify Potential Inhibitors for ERα Protein of Breast Cancer2
Marine-derived Natural Products as Anticancer Agents2
Synthesis of New Thiazole Clubbed Imidazo[2,1-b]thiazole Hybrid as Antimycobacterial Agents2
Unveiling the Therapeutic Potential of 8-Hydroxyquinoline: A Multi-Targeting Approach2
Acknowledgements to Reviewers2
Trifluoromethylated Aryl Sulfonamides as Novel CETP Inhibitors: Synthesis, Induced Fit Docking, Pharmacophore Mapping and Subsequent In vitro Validation2
Quinoline-based Anti-oncogenic Molecules: Synthesis and Biological Evaluation2
Synthesis and Anticancer Activity of Novel Chromene Derivatives, Chromeno[2,3-d][1,3]Oxazines, and Chromeno[2,3-d]Pyrimidines2
1-[4-(2-Dimethylaminoethoxy)phenylcarbonyl]-3,5-Bis(3,4,5-Trimethoxybenzylidene)- 4-Piperidone Hydrochloride and Related Compounds: Potent Cytotoxins Demonstrate Greater Toxicity to Neoplasms than Non2
Calixarenes and their Relevance in Anticancer Drug Development2
A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase2
Exploring Therapeutic Potential of 1,3,4-Oxadiazole Nucleus as Anticancer Agents: A Mini-review2
Exploring the Cholinesterase Inhibitory Potential of Azines Bearing a 4,4-bisdimethylaminobenzophenone Scaffold: An Experimental and Computational Approach2
In silico Prediction of ADMET/Drug-likeness Properties of Bioactive Phloroglucinols from Hypericum Genus2
An Insight into COVID-19 and Traditional Herbs: Bangladesh Perspective2
Promising Anticancer Activity of Pyrazole Compounds against Glioblastoma Multiforme: Their Synthesis, In vitro, and Molecular Docking Studies2
In vitro and In vivo Activity of a New N-Oxide Derivative for Acne Vulgaris Treatment2
N,N-Disubstituted 4-Sulfamoylbenzoic Acid Derivatives as Inhibitors of Cytosolic Phospholipase A2α: Synthesis, Aqueous Solubility, and Activity in a Vesicle and a Whole Blood Assay2
Virtual Screening of HBV Capsid Assembly Modulators with the Combination of Pharmacophore Modeling and Hydrogen Bond Constraints2
Unlocking the Biological Potential of 2-Pyridones: Synthesis, Antioxidant and Antimicrobial Activity of N-Phenacylated 5/6-Chloro-2-pyridones2
Synthesis, Characterization, and Investigation of Doxorubicin Drug Release Properties of Poly(acrylamide-co-acrylic Acid/Maleic Acid)-Hydroxyapatite Composite Hydrogel2
Marine-Derived Compound Targeting mTOR and FGFR-2: A Promising Strategy for Breast, Lung, and Colorectal Cancer Therapy2
Structure-based Virtual Screening from Natural Products as Inhibitors of SARS-CoV-2 Spike Protein and ACE2 Receptor Binding and their Biological Evaluation In vitro2
Novel 2-Nitroimidazole and Imidazooxazole Derivatives and their Activity against Trypanosoma cruzi and Mycobacterium tuberculosis2
Synthesis, Characterization, and Pharmacological Evaluation of Zn 4 O(BDC) 3 : Anticancer, Antidia2
Bioactive Compounds from Myrica esculenta: Antioxidant Insights and Docking Studies on H + K + -AT2
Antibiotic Potentiation Through Phytochemical-Based Efflux Pump Inhibitors to Combat Multidrug Resistance Bacteria2
Chitosan-Based Materials: A Comprehensive Review on Anticancer Drug Development2
Recent Development in Small Molecules for SARS-CoV-2 and the Opportunity for Fragment-Based Drug Discovery2
Mapping the Landscape of Global Anticancer Organometallics Research: A Systematic Review2
In-Silico Prediction of Novel Fused Quinazoline Based Topoisomerase Inhibitors as Anticancer Agents2
Recent Advances on Natural and Non-Natural Xanthones as Potential Anticancer Agents: A Review2
Design, Synthesis, and Anti-Breast Cancer Activity of Novel Fluorinated 7-O-Modified Genistein Derivatives2
Syntheses and Identification of New Dithiophosphinic Acid Complexes and Their Potential as Photodynamic Agents in Cancer Therapy2
Synthesis and Evaluation of Novel Substituted N-Aryl 1,4-Dihydropyridines as Antituberculostatic Agents2
Benzimidazole Conjugates as Multi-target Anticancer Agents - A Comprehensive Review2
Mannich Bases: Centrality in Cytotoxic Drug Design2
An Explicative Review on the Current Advancement in Schiff Base-Metal Complexes as Anticancer Agents Evolved in the Past Decade: Medicinal Chemistry Aspects2
Heterocyclic Compounds as Bcr-Abl Tyrosine Kinase Inhibitors Against Chronic Myeloid Leukemia2
Exploring the Diverse Therapeutic Applications of 1, 3-Thiazine: A Comprehensive Review2
Inhibition of iNOS by Benzimidazole Derivatives: Synthesis, Docking, and Biological Evaluations2
Design and Synthesis of Novel Ibuprofen Derivatives as Selective COX-2 Inhibitors and Potential Anti-Inflammatory Agents: Evaluation of PGE2, TNF-α, IL-6 and Histopathological Study2
Advances in Structural Types and Pharmacochemistry of CDK12 Inhibitors2
Characterization of the Cytotoxic Effect of Naphthalenacetamides Hydrochlorides on Cervical Cancer-Derived Cells2
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