Medicinal Chemistry

Papers
(The TQCC of Medicinal Chemistry is 5. 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 2022-01-01 to 2026-01-01.)
ArticleCitations
Substituted 4H-3,1-benzoxazine-4-one Derivatives as Inhibitors of Cathepsin G49
Recent Advances in the Biological Profiles of Fluorine-Containing Pyridine and its Derivatives: A Brief Overview44
2-Substituted Benzoxazoles as Potent Anti-Inflammatory Agents: Synthesis, Molecular Docking and In vivo Anti-Ulcerogenic Studies35
Exploring Recent Advances in the Pharmacological Activities of Pyrazole Compounds: A Comprehensive Review34
Synthesis, Antimicrobial Activity, DFT, Molecular Docking, and Dynamic Simulations of Trityl Mannopyranoside Derivatives for Potential Antibacterial Agents31
A Search for New Amidrazone Derivatives Containing 4-Oxybut-2-enoic Acid Moiety as Antibacterial Agents26
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 Study25
A Comprehensive Review: Synthesis and Pharmacological Activities of 1,3,4-Oxadiazole Hybrid Scaffolds22
Potential Inhibitors of SARS-CoV-2 Developed through Machine Learning, Molecular Docking, and MD Simulation22
Pyrazolo - Pyrimidines as Targeted Anticancer Scaffolds - A Comprehensive Review20
New Route to the Synthesis of Novel Pyrazolo[1,5-a]pyrimidines and Evaluation of their Antimicrobial Activity as RNA Polymerase Inhibitors20
Promising Molecular Targets Related to Polyamine Biosynthesis in Drug Discovery against Leishmaniasis19
The Catalysts-Based Synthetic Approaches to Quinolines: A Review19
GPR18 and GPR55-related Ligands Serving as Antagonists or Agonists: Current Situation, Challenges and Perspectives18
Incorporating Antimicrobial Activity During Synthesis of New Acid-Azo Dyes: Thermal Stability and Application on Various Fabrics18
Preface18
A Review of the Medicinal Importance and Perspectives of the 2-isoxazoline Scaffold17
Synthesis, Docking, and Biological Studies of Pyrazine Derivatives as Antimycobacterial Agents17
Design, Synthesis, in silico and in vitro Evaluation of New Combretastatin A-4 Analogs as Antimitotic Antitumor Agents17
Preface16
Targeting Breast Cancer: Novel Dihydropyrimidinones As Potent Eg5 Inhibitors16
Novel Caffeic Acid - Zinc Acetate Complex: Studies on Promising Antidiabetic and Antioxidative Synergism Through Complexation15
An Explicative Review on the Progress of Quinazoline Scaffold as Bioactive Agents in the Past Decade15
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 Function14
Pyrazoline Derivatives: Exploring the Synthesis and Development of New Ligands for Anti-Cancer Therapy14
Synthesis of Some Novel Benzimidazole Derivatives as Anticancer Agent and Evaluation for CDK2 Inhibition Activity13
Synthesis and Structural Activity Relationship Study of Ursolic Acid Derivatives as Antitubercular Agent13
Abrogating Oxidative Stress as a Therapeutic Strategy Against Parkinson’s Disease: A Mini Review of the Recent Advances on Natural Therapeutic Antioxidant and Neuroprotective Agents13
Synthesis, Characterization, and In Vitro and In Silico Studies of New Triazole Derivatives as Aromatase Inhibitors12
WITHDRAWN: Bismuth(III) Complexes with Schiff Bases: Synthesis, Characterization, Interaction with Biomolecules, Antioxidant and Antimicrobial Activity12
Synthesis and Antiproliferative Activity Evaluation of B-norcholesterol-6- amide Compounds11
Revisiting Purine Nucleoside Cholinesterase Inhibitors - An Experimental Glycon Structure/Activity Relationship Study11
Integrating Machine Learning and Pharmacophore Features for Enhanced Prediction of H1 Receptor Blockers11
Synthesis, Molecular Docking Studies and Biological Evaluation of Thiazolyl Hydrazone Derivatives of Chromone-3-carbaldehyde as Potent Anti-Oxidant and Anti-Inflammatory Agents11
Design and Synthesis of Novel Celecoxib Analogues with Potential Cytotoxic and Pro-apoptotic Activity against Breast Cancer Cell Line MCF-711
Nitrogen-fused Heterocycles: Empowering Anticancer Drug Discovery10
Application and Progress of Machine Learning in Pesticide Hazard and Risk Assessment10
1,3,4-Thiadiazole: A Versatile Pharmacophore of Medicinal Significance10
Recent Advances in Nitrogen-Containing Heterocyclic Scaffolds as Antiviral Agents10
Exploring Phytochemicals as Potential Inhibitors of Cancer Cell Metabolic Pathways: A Computational Study10
Design, Synthesis and Biological Evaluation of Novel N-Alkyl-4-Methyl-2,2- Dioxo-1H-2λ6,1-Benzothiazine-3-Carboxamides as Promising Analgesics9
In Vitro Evaluation of p-Toluenesulfonyl Hydrazones as Anti-Trypanosoma cruzi and Leishmanicidal Agents9
Coumarins and Quinolones as Effective Multiple Targeted Agents Versus Covid-19: An In Silico Study9
Structural Bioinformatics Used to Predict the Protein Targets of Remdesivir and Flavones in SARS-CoV-2 Infection9
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 MRSA9
Synthetic Methods for Various Chromeno-fused Heterocycles and their Potential as Antimicrobial Agents9
Antioxidant and Antimicrobial Potential, BSA and DNA Binding Properties of Some 3-Hydroxy-3-Pyrrolin-2-Ones Bearing Thenoyl Fragment9
New Approach as Inhibitor Against Head-Neck Cancer by In silico, DFT, FMOs, Docking, Molecular Dynamic, and ADMET of Euphorbia tirucalli (Pencil Cactus)9
Structure-Based Discovery of Potent Staphylococcus aureus Thymidylate Kinase Inhibitors by Virtual Screening9
Acknowledgements to Reviewers9
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
Synthesis and Biological Evaluation of Novel 2-imino-4-thiazolidinones as Potential Antitumor Agents for Glioblastoma8
Discovery of Novel 1,3,4-oxadiazole-based Inhibitors Against Urease and Diabetes: Design, Synthesis, SAR, Biological, and Molecular Docking Screening8
Design, Synthesis and Anticonvulsant Activity of Cinnamoyl Derivatives of 3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1-(2H)-one Oxime8
In-silico Investigations for the Identification of Novel Inhibitors Targeting Hepatitis C Virus RNA-dependent RNA Polymerase8
Expanding Therapeutic Horizons with Indazole-Based Compounds: A Review of Anticancer, Antimicrobial, and Neuroprotective Applications8
Screening of Novel Inhibitors Targeting the Non-ATP-binding Domain of Staphylococcus aureus SecA18
Synthesis and Evaluation of Antibacterial and Antifungal Activities In vitro and In silico of Novel Morpholinoalkoxychalcones7
In silico Study of Novel Tryptanthrin-Based Topoisomerase Inhibitors7
Quinolones: The Cornerstone of the Advanced Era in Therapeutics7
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
In Silico Analysis and Molecular Docking of Human Antimicrobial Peptides for Targeting Monkeypox Virus: Potential Therapeutic Implications of Histatin 5 Peptide7
Chalcones as Scavengers of HOCl and Inhibitors of Oxidative Burst: Structure-Activity Relationship Studies7
A Review on the Development of Novel Heterocycles as α-Glucosidase Inhibitors for the Treatment of Type-2 Diabetes Mellitus7
Organocatalytic Synthesis and Antitumor Activity of Novel 1,2,3-triazoles Derived from Fatty β-ketoesters7
Current Research on Pro-drug Therapies for Parkinson's and Alzheimer's Disease7
Unveiling the Anti-cancer Potential of Oxadiazole Derivatives: A Comprehensive Exploration of Structure-Activity Relationships and Chemico-Biological Insights7
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance7
Promising Potential of Curcumin and Related Compounds for Antiviral Drug Discovery7
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
Effective Synthesis of Dopamine Dimer6
Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods6
Synthesis, Cytotoxicity, ADMET and Molecular Docking Studies of Some Quinoline-Pyrimidine Hybrid Compounds: 3-(2-Amino-6-arylpyrimidin-4- yl)-4-hydroxy-1-methylquinolin-2(1H)-ones6
Platinum Group Metals against Parasites: State of the Art and Future Perspectives6
Styrylquinolines Derivatives: SAR Study and Synthetic Approaches6
Identification of the First “Two Digit Nano-molar” Inhibitors of the Human Glyoxalase-I Enzyme as Potential Anticancer Agents6
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
Discovery of a “Cocktail” of Potential SARS-COV-2 Main Protease Inhibitors through Virtual Screening of Known Chemical Components of Vitex negundo L. (“Lagundi”)6
Evaluation of Anticancer and Epidermal Growth Factor Receptor Inhibition Activity by Benzochromeno Pyrimidin Derivatives in Three Human Cancer Cell Lines6
Recent Advances in the Medicinal Chemistry of Cancer (Part II)5
Recent Advances in N-Heterocycles for COVID-19 Treatment - A Mini Review5
A Molecular Insight into Pyrazole Congeners as Antimicrobial, Anticancer, and Antimalarial Agents5
Recent Developments in Azetidinone-Azole Conjugates: Emerging Antimicrobial Potentials5
Study of Structurally Diverse Currently Used and Recently Developed Antimycobacterial Drugs5
Synthesis, Molecular Docking and ADME Prediction of 1H-indole/5- substituted Indole Derivatives as Potential Antioxidant and Anti- Inflammatory Agents5
Application of Iodine-Amine Oxidation Approach in the Synthesis of Various N-Alkyl Phosphoramidate Oligonucleotide Derivatives5
Drug Resistance in the HIV-1 Subtype C Protease Enzyme: A High Throughput Virtual Screening Approach in Search of New Ligands with Activity5
Synthesis of 4-styrylpyrazoles and Evaluation of their Inhibitory Effects on Cyclin-dependent Kinases5
Exploring the Therapeutic Marvels: A Comprehensive Review on the Biological Potential of Quinoline-5,8-Dione5
Synthesis and Antibacterial Activity of Erythromycin 9-Acylhydrazone Derivates5
Emerging Role of Natural Topoisomerase Inhibitors as Anticancer agents5
Unlocking the Multifunctional Therapeutic Potential of Herbacetin: A Flavone derived Scaffold5
Acknowledgements to Reviewers5
Piroxicam Analogs: Design, Synthesis, Docking Study and Biological Evaluation as Promising Anti-HIV-1 Agents5
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