Medicinal Chemistry

Papers
(The TQCC of Medicinal Chemistry is 6. 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 2022-08-01 to 2026-08-01.)
ArticleCitations
Substituted 4H-3,1-benzoxazine-4-one Derivatives as Inhibitors of Cathepsin G65
A Search for New Amidrazone Derivatives Containing 4-Oxybut-2-enoic Acid Moiety as Antibacterial Agents54
New Route to the Synthesis of Novel Pyrazolo[1,5-a]pyrimidines and Evaluation of their Antimicrobial Activity as RNA Polymerase Inhibitors45
Recent Advances in the Biological Profiles of Fluorine-Containing Pyridine and its Derivatives: A Brief Overview41
Potential Inhibitors of SARS-CoV-2 Developed through Machine Learning, Molecular Docking, and MD Simulation40
2-Substituted Benzoxazoles as Potent Anti-Inflammatory Agents: Synthesis, Molecular Docking and In vivo Anti-Ulcerogenic Studies40
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 Study37
Exploration of Fluorine-Containing Biguanide Analogues with Various Branches: Their Design, Synthesis, and Anti-Proliferative Mechanisms28
Exploring Recent Advances in the Pharmacological Activities of Pyrazole Compounds: A Comprehensive Review25
Pyrazolo - Pyrimidines as Targeted Anticancer Scaffolds - A Comprehensive Review25
A Comprehensive Review: Synthesis and Pharmacological Activities of 1,3,4-Oxadiazole Hybrid Scaffolds23
Promising Molecular Targets Related to Polyamine Biosynthesis in Drug Discovery against Leishmaniasis22
Synthesis, Antimicrobial Activity, DFT, Molecular Docking, and Dynamic Simulations of Trityl Mannopyranoside Derivatives for Potential Antibacterial Agents22
Incorporating Antimicrobial Activity During Synthesis of New Acid-Azo Dyes: Thermal Stability and Application on Various Fabrics20
Preface20
The Catalysts-Based Synthetic Approaches to Quinolines: A Review19
Synthesis, Docking, and Biological Studies of Pyrazine Derivatives as Antimycobacterial Agents18
Design, Synthesis, in silico and in vitro Evaluation of New Combretastatin A-4 Analogs as Antimitotic Antitumor Agents18
GPR18 and GPR55-related Ligands Serving as Antagonists or Agonists: Current Situation, Challenges and Perspectives17
Evaluation of the Anticancer Potential of Nitro-Benzimidazole Derivatives in Breast Cancer17
A Review of the Medicinal Importance and Perspectives of the 2-isoxazoline Scaffold17
Preface17
Abrogating Oxidative Stress as a Therapeutic Strategy Against Parkinson’s Disease: A Mini Review of the Recent Advances on Natural Therapeutic Antioxidant and Neuroprotective Agents16
Targeting Breast Cancer: Novel Dihydropyrimidinones As Potent Eg5 Inhibitors16
Novel Caffeic Acid - Zinc Acetate Complex: Studies on Promising Antidiabetic and Antioxidative Synergism Through Complexation15
Blueberries and Their Polyphenols: A Review of the Evidence and the Potential Impact on Inflammation, Oxidative Stress, Vascular and Cardiometabolic Function15
Pyrazoline Derivatives: Exploring the Synthesis and Development of New Ligands for Anti-Cancer Therapy14
Synthesis and Structural Activity Relationship Study of Ursolic Acid Derivatives as Antitubercular Agent13
An Explicative Review on the Progress of Quinazoline Scaffold as Bioactive Agents in the Past Decade13
Exploring Phytochemicals as Potential Inhibitors of Cancer Cell Metabolic Pathways: A Computational Study12
Design and Synthesis of Novel Celecoxib Analogues with Potential Cytotoxic and Pro-apoptotic Activity against Breast Cancer Cell Line MCF-712
Synthesis and Antiproliferative Activity Evaluation of B-norcholesterol-6- amide Compounds12
WITHDRAWN: Bismuth(III) Complexes with Schiff Bases: Synthesis, Characterization, Interaction with Biomolecules, Antioxidant and Antimicrobial Activity12
Revisiting Purine Nucleoside Cholinesterase Inhibitors - An Experimental Glycon Structure/Activity Relationship Study12
Integrating Machine Learning and Pharmacophore Features for Enhanced Prediction of H1 Receptor Blockers12
Application and Progress of Machine Learning in Pesticide Hazard and Risk Assessment11
Synthesis, Molecular Docking Studies and Biological Evaluation of Thiazolyl Hydrazone Derivatives of Chromone-3-carbaldehyde as Potent Anti-Oxidant and Anti-Inflammatory Agents11
Recent Advances in Nitrogen-Containing Heterocyclic Scaffolds as Antiviral Agents11
In silico and in vitro Analysis of Secondary Metabolites of Pleurotus djamor Against Targets of Haemonchus contortus11
Synthesis, Characterization, and In Vitro and In Silico Studies of New Triazole Derivatives as Aromatase Inhibitors11
Developing Safer Anticoagulant Candidates: Structure-Activity Relationship Studies of 5-Amino-Triazole-Based FXIIa Inhibitors11
Drug Repurposing against the PurS Subunit of Phosphoribosylformylglycinamidine Synthase in Methicillin- and Oxacillin-Resistant Staphylococcus Aureus: In vitro and In silico Studies10
1,3,4-Thiadiazole: A Versatile Pharmacophore of Medicinal Significance10
Nitrogen-fused Heterocycles: Empowering Anticancer Drug Discovery10
In Vitro Evaluation of p-Toluenesulfonyl Hydrazones as Anti-Trypanosoma cruzi and Leishmanicidal Agents9
Synthetic Methods for Various Chromeno-fused Heterocycles and their Potential as Antimicrobial Agents9
New Approach as Inhibitor Against Head-Neck Cancer by In silico, DFT, FMOs, Docking, Molecular Dynamic, and ADMET of Euphorbia tirucalli (Pencil Cactus)9
Diaryl Ether Derivatives as Dual Inhibitors of Selective COX-2 and EGFR: Synthesis, In silico, and In Vitro Analysis9
Antioxidant and Antimicrobial Potential, BSA and DNA Binding Properties of Some 3-Hydroxy-3-Pyrrolin-2-Ones Bearing Thenoyl Fragment9
Would the Development of a Multitarget Inhibitor of 3CLpro and TMPRSS2 be Promising in the Fight Against SARS-CoV-2?9
Structural Scaffolds as Anti- Alzheimer Agents9
Computational Screening, ADME Study, and Evaluation of Benzothiazole Derivatives as Potential Anticancer Agents8
Design, Synthesis and Anticonvulsant Activity of Cinnamoyl Derivatives of 3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1-(2H)-one Oxime8
Acknowledgements to Reviewers8
Design, Synthesis and Biological Evaluation of Novel N-Alkyl-4-Methyl-2,2- Dioxo-1H-2λ6,1-Benzothiazine-3-Carboxamides as Promising Analgesics8
Efficient Synthesis of Mannopyranoside-based Fatty Acyl Esters: Effects of Acyl Groups on Antimicrobial Potential8
Discovery of Novel 1,3,4-oxadiazole-based Inhibitors Against Urease and Diabetes: Design, Synthesis, SAR, Biological, and Molecular Docking Screening8
Structure-Based Discovery of Potent Staphylococcus aureus Thymidylate Kinase Inhibitors by Virtual Screening8
Synthesis and Antibacterial Evaluation of Novel Small-Molecule Antibacterials of a Reduced Acridine Structure in S. aureus Strains Including MRSA7
Expanding Therapeutic Horizons with Indazole-Based Compounds: A Review of Anticancer, Antimicrobial, and Neuroprotective Applications7
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
Unveiling the Anti-cancer Potential of Oxadiazole Derivatives: A Comprehensive Exploration of Structure-Activity Relationships and Chemico-Biological Insights7
In-silico Investigations for the Identification of Novel Inhibitors Targeting Hepatitis C Virus RNA-dependent RNA Polymerase7
Histone Deacetylase (HDAC) Inhibitors: Research and Therapeutic Applications in Cancer and Neurodegenerative Diseases: A Mini-review7
Quinolones: The Cornerstone of the Advanced Era in Therapeutics7
Promising Potential of Curcumin and Related Compounds for Antiviral Drug Discovery7
Screening of Novel Inhibitors Targeting the Non-ATP-binding Domain of Staphylococcus aureus SecA17
In silico Study of Novel Tryptanthrin-Based Topoisomerase Inhibitors7
Synthesis and Evaluation of Antibacterial and Antifungal Activities In vitro and In silico of Novel Morpholinoalkoxychalcones7
Exploring the Therapeutic Potential of Pyrazole-Based Scaffolds in Parkinson’s Disease: Recent Progress and SAR Insights6
DPP-IV and FAP-α as Targets of Drug Design: A Comparative Structural Analysis of Molecular Features and Biological Implications6
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance6
A Review on the Development of Novel Heterocycles as α-Glucosidase Inhibitors for the Treatment of Type-2 Diabetes Mellitus6
Styrylquinolines Derivatives: SAR Study and Synthetic Approaches6
In Silico Discovery and Predictive Modeling of Novel Acetylcholinesterase (AChE) Inhibitors for Alzheimer's Treatment6
A Series of Trifluoromethylisoxazolyl- and Trifluoromethylpyrazolyl- Substituted (Hetero)aromatic Sulfonamide Carbonic Anhydrase Inhibitors: Synthesis, and Convenient Prioritization Workflow for Furth6
2-Quinolinone Derivatives as Dual Cholinesterase Inhibitors: Experimental and Computational Insights6
Effective Synthesis of Dopamine Dimer6
Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods6
Platinum Group Metals against Parasites: State of the Art and Future Perspectives6
In Silico Analysis and Molecular Docking of Human Antimicrobial Peptides for Targeting Monkeypox Virus: Potential Therapeutic Implications of Histatin 5 Peptide6
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 Th6
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