Medicinal Chemistry

Article	Citations
Substituted 4H-3,1-benzoxazine-4-one Derivatives as Inhibitors of Cathepsin G	65
A Search for New Amidrazone Derivatives Containing 4-Oxybut-2-enoic Acid Moiety as Antibacterial Agents	54
New Route to the Synthesis of Novel Pyrazolo[1,5-a]pyrimidines and Evaluation of their Antimicrobial Activity as RNA Polymerase Inhibitors	45
Recent Advances in the Biological Profiles of Fluorine-Containing Pyridine and its Derivatives: A Brief Overview	41
2-Substituted Benzoxazoles as Potent Anti-Inflammatory Agents: Synthesis, Molecular Docking and In vivo Anti-Ulcerogenic Studies	40
Potential Inhibitors of SARS-CoV-2 Developed through Machine Learning, Molecular Docking, and MD Simulation	40
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 Study	37
Exploration of Fluorine-Containing Biguanide Analogues with Various Branches: Their Design, Synthesis, and Anti-Proliferative Mechanisms	28
Pyrazolo - Pyrimidines as Targeted Anticancer Scaffolds - A Comprehensive Review	25
Exploring Recent Advances in the Pharmacological Activities of Pyrazole Compounds: A Comprehensive Review	25
A Comprehensive Review: Synthesis and Pharmacological Activities of 1,3,4-Oxadiazole Hybrid Scaffolds	23
Synthesis, Antimicrobial Activity, DFT, Molecular Docking, and Dynamic Simulations of Trityl Mannopyranoside Derivatives for Potential Antibacterial Agents	22
Promising Molecular Targets Related to Polyamine Biosynthesis in Drug Discovery against Leishmaniasis	22
Incorporating Antimicrobial Activity During Synthesis of New Acid-Azo Dyes: Thermal Stability and Application on Various Fabrics	20
Preface	20
The Catalysts-Based Synthetic Approaches to Quinolines: A Review	19
Synthesis, Docking, and Biological Studies of Pyrazine Derivatives as Antimycobacterial Agents	18
Design, Synthesis, in silico and in vitro Evaluation of New Combretastatin A-4 Analogs as Antimitotic Antitumor Agents	18
A Review of the Medicinal Importance and Perspectives of the 2-isoxazoline Scaffold	17
Preface	17
GPR18 and GPR55-related Ligands Serving as Antagonists or Agonists: Current Situation, Challenges and Perspectives	17
Evaluation of the Anticancer Potential of Nitro-Benzimidazole Derivatives in Breast Cancer	17
Targeting Breast Cancer: Novel Dihydropyrimidinones As Potent Eg5 Inhibitors	16
Abrogating Oxidative Stress as a Therapeutic Strategy Against Parkinson’s Disease: A Mini Review of the Recent Advances on Natural Therapeutic Antioxidant and Neuroprotective Agents	16
Blueberries and Their Polyphenols: A Review of the Evidence and the Potential Impact on Inflammation, Oxidative Stress, Vascular and Cardiometabolic Function	15

Novel Caffeic Acid - Zinc Acetate Complex: Studies on Promising Antidiabetic and Antioxidative Synergism Through Complexation	15
Pyrazoline Derivatives: Exploring the Synthesis and Development of New Ligands for Anti-Cancer Therapy	14
An Explicative Review on the Progress of Quinazoline Scaffold as Bioactive Agents in the Past Decade	13
Synthesis and Structural Activity Relationship Study of Ursolic Acid Derivatives as Antitubercular Agent	13
Revisiting Purine Nucleoside Cholinesterase Inhibitors - An Experimental Glycon Structure/Activity Relationship Study	12
Integrating Machine Learning and Pharmacophore Features for Enhanced Prediction of H1 Receptor Blockers	12
Exploring Phytochemicals as Potential Inhibitors of Cancer Cell Metabolic Pathways: A Computational Study	12
Design and Synthesis of Novel Celecoxib Analogues with Potential Cytotoxic and Pro-apoptotic Activity against Breast Cancer Cell Line MCF-7	12
Synthesis and Antiproliferative Activity Evaluation of B-norcholesterol-6- amide Compounds	12
WITHDRAWN: Bismuth(III) Complexes with Schiff Bases: Synthesis, Characterization, Interaction with Biomolecules, Antioxidant and Antimicrobial Activity	12
Synthesis, Characterization, and In Vitro and In Silico Studies of New Triazole Derivatives as Aromatase Inhibitors	11
Developing Safer Anticoagulant Candidates: Structure-Activity Relationship Studies of 5-Amino-Triazole-Based FXIIa Inhibitors	11
Application and Progress of Machine Learning in Pesticide Hazard and Risk Assessment	11
Synthesis, Molecular Docking Studies and Biological Evaluation of Thiazolyl Hydrazone Derivatives of Chromone-3-carbaldehyde as Potent Anti-Oxidant and Anti-Inflammatory Agents	11
Recent Advances in Nitrogen-Containing Heterocyclic Scaffolds as Antiviral Agents	11
In silico and in vitro Analysis of Secondary Metabolites of Pleurotus djamor Against Targets of Haemonchus contortus	11
Nitrogen-fused Heterocycles: Empowering Anticancer Drug Discovery	10
Drug Repurposing against the PurS Subunit of Phosphoribosylformylglycinamidine Synthase in Methicillin- and Oxacillin-Resistant Staphylococcus Aureus: In vitro and In silico Studies	10
1,3,4-Thiadiazole: A Versatile Pharmacophore of Medicinal Significance	10
Diaryl Ether Derivatives as Dual Inhibitors of Selective COX-2 and EGFR: Synthesis, In silico, and In Vitro Analysis	9
Antioxidant and Antimicrobial Potential, BSA and DNA Binding Properties of Some 3-Hydroxy-3-Pyrrolin-2-Ones Bearing Thenoyl Fragment	9
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 Agents	9
In Vitro Evaluation of p-Toluenesulfonyl Hydrazones as Anti-Trypanosoma cruzi and Leishmanicidal Agents	9
Synthetic Methods for Various Chromeno-fused Heterocycles and their Potential as Antimicrobial Agents	9
New Approach as Inhibitor Against Head-Neck Cancer by In silico, DFT, FMOs, Docking, Molecular Dynamic, and ADMET of Euphorbia tirucalli (Pencil Cactus)	9
Design, Synthesis and Biological Evaluation of Novel N-Alkyl-4-Methyl-2,2- Dioxo-1H-2λ6,1-Benzothiazine-3-Carboxamides as Promising Analgesics	8
Efficient Synthesis of Mannopyranoside-based Fatty Acyl Esters: Effects of Acyl Groups on Antimicrobial Potential	8
Discovery of Novel 1,3,4-oxadiazole-based Inhibitors Against Urease and Diabetes: Design, Synthesis, SAR, Biological, and Molecular Docking Screening	8
Structure-Based Discovery of Potent Staphylococcus aureus Thymidylate Kinase Inhibitors by Virtual Screening	8
Computational Screening, ADME Study, and Evaluation of Benzothiazole Derivatives as Potential Anticancer Agents	8
Design, Synthesis and Anticonvulsant Activity of Cinnamoyl Derivatives of 3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1-(2H)-one Oxime	8
Acknowledgements to Reviewers	8
Screening of Novel Inhibitors Targeting the Non-ATP-binding Domain of Staphylococcus aureus SecA1	7
In silico Study of Novel Tryptanthrin-Based Topoisomerase Inhibitors	7
Synthesis and Evaluation of Antibacterial and Antifungal Activities In vitro and In silico of Novel Morpholinoalkoxychalcones	7
Synthesis and Antibacterial Evaluation of Novel Small-Molecule Antibacterials of a Reduced Acridine Structure in S. aureus Strains Including MRSA	7
Expanding Therapeutic Horizons with Indazole-Based Compounds: A Review of Anticancer, Antimicrobial, and Neuroprotective Applications	7
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 study	7
Unveiling the Anti-cancer Potential of Oxadiazole Derivatives: A Comprehensive Exploration of Structure-Activity Relationships and Chemico-Biological Insights	7
In-silico Investigations for the Identification of Novel Inhibitors Targeting Hepatitis C Virus RNA-dependent RNA Polymerase	7
Histone Deacetylase (HDAC) Inhibitors: Research and Therapeutic Applications in Cancer and Neurodegenerative Diseases: A Mini-review	7
Quinolones: The Cornerstone of the Advanced Era in Therapeutics	7
Promising Potential of Curcumin and Related Compounds for Antiviral Drug Discovery	7
A Series of Trifluoromethylisoxazolyl- and Trifluoromethylpyrazolyl- Substituted (Hetero)aromatic Sulfonamide Carbonic Anhydrase Inhibitors: Synthesis, and Convenient Prioritization Workflow for Furth	6
2-Quinolinone Derivatives as Dual Cholinesterase Inhibitors: Experimental and Computational Insights	6
Effective Synthesis of Dopamine Dimer	6
Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods	6
Platinum Group Metals against Parasites: State of the Art and Future Perspectives	6
In Silico Analysis and Molecular Docking of Human Antimicrobial Peptides for Targeting Monkeypox Virus: Potential Therapeutic Implications of Histatin 5 Peptide	6

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 Th	6
Exploring the Therapeutic Potential of Pyrazole-Based Scaffolds in Parkinson’s Disease: Recent Progress and SAR Insights	6
DPP-IV and FAP-α as Targets of Drug Design: A Comparative Structural Analysis of Molecular Features and Biological Implications	6
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance	6
A Review on the Development of Novel Heterocycles as α-Glucosidase Inhibitors for the Treatment of Type-2 Diabetes Mellitus	6
Styrylquinolines Derivatives: SAR Study and Synthetic Approaches	6
In Silico Discovery and Predictive Modeling of Novel Acetylcholinesterase (AChE) Inhibitors for Alzheimer's Treatment	6
Recent Advances in the Medicinal Chemistry of Cancer (Part II)	5
Application of Iodine-Amine Oxidation Approach in the Synthesis of Various N-Alkyl Phosphoramidate Oligonucleotide Derivatives	5
Acknowledgements to Reviewers	5
Exploring the Therapeutic Marvels: A Comprehensive Review on the Biological Potential of Quinoline-5,8-Dione	5
Pyrazole Scaffolds: Centrality in Anti-Inflammatory and Antiviral Drug Design	5
A Molecular Insight into Pyrazole Congeners as Antimicrobial, Anticancer, and Antimalarial Agents	5
Recent Advances in N-Heterocycles for COVID-19 Treatment - A Mini Review	5
Recent Developments in Azetidinone-Azole Conjugates: Emerging Antimicrobial Potentials	5
Topological Indices in QSPR Analysis for Predicting Properties of Migraine Drugs	5
Unlocking the Multifunctional Therapeutic Potential of Herbacetin: A Flavone derived Scaffold	5
Drug Resistance in the HIV-1 Subtype C Protease Enzyme: A High Throughput Virtual Screening Approach in Search of New Ligands with Activity	5
Synthesis, Molecular Docking and ADME Prediction of 1H-indole/5- substituted Indole Derivatives as Potential Antioxidant and Anti- Inflammatory Agents	5
Natural Products as a Major Source of Candidates for Potential Senolytic Compounds obtained by in silico Screening	4
Exploring Pyridine-Based Schemes: A Comprehensive Review on their Synthesis and Therapeutic Applications	4
Pharmacochemical Study of Multitarget Amino Acids’ Hybrids: Design, Synthesis, In vitro, and In silico Studies	4
One-Pot Synthesis of Benzoxazoles: A Promising Approach to Aromatic Heterocyclic Compounds Preparation	4
Synthesis, Assessment of Antineoplastic Activity, and Molecular Docking of Novel 2-Thioxo-oxazolidin-4-one Derivatives	4
Bioisosterism in Drug Discovery and Development - An Overview	4
Quinoline: Synthesis to Application	4
Synthesis, Biological Evaluation, and Docking Studies of Open-Chain Carbohydrate Amides as Acetylcholinesterase Inhibitors	4
Naphthofuran Derivative BF4, a New Potent SIRT1 Activator, Regulates Lipid Metabolism in 3T3-L1 Adipocytes via the SIRT1-AMPK Pathway	4
Synthesis and Antibacterial Activity of Erythromycin 9-Acylhydrazone Derivates	4
Study of Structurally Diverse Currently Used and Recently Developed Antimycobacterial Drugs	4
A Profound Insight into the Structure-activity Relationship of Ubiquitous Scaffold Piperazine: An Explicative Review	4
Synthesis, Antimicrobial Evaluation, and Interaction of Emodin Alkyl Azoles with DNA and HSA	4
A Critical Review of Tetramethylpyrazine: Diseases and Derivatives	4
Synthesis, Characterization, and in vitro Anti-Inflammatory Activity of Novel Ferrocenyl(Piperazine-1-Yl)Methanone-based Derivatives	4
Emerging Role of Natural Topoisomerase Inhibitors as Anticancer agents	4
Unveiling Indazole: Novel Synthetic Pathways and Biological Potentials	4
Multi-Targeted Molecular Docking and Drug-Likeness Evaluation of some Nitrogen Heterocyclic Compounds Targeting Proteins Involved in the Development of COVID-19	4
Natural Mimetic 4,6-Dihydroxyaurone Derivatives as Tyrosinase Inhibitors: Design, Synthesis, and Biological Evaluation	4
In silico and In vitro Assessment of Dimeric Flavonoids (Brachydins) on Rhipicephalus microplus Glutathione S-transferase	4
Isatin Conjugates as Antibacterial Agents: A Brief Review	3
Synthesis and Biological Evaluation of Amino Acid and Peptide Conjugates of 5-Bromovaleric Acid	3
Exploring Thiophene Derivatives: Synthesis Strategies and Biological Significance	3
Curcumin-Based Virtual Screening Identifies Inhibitors of SARS-CoV-2 Spike Protein and ACE2 Receptor Binding	3
Identification of Natural Terpenoid Compounds as Potential Inhibitors of Nucleoprotein of Influenza A Virus using in silico Approach: ADMET, Molecular Docking, and Molecular Dynamic Simulation	3
Diverse Pharmacological Potential of Pyridazine Analogs against Various Diseases	3
In silico Evaluation of Ferulic Acid Based Multifunctional Conjugates as Potential Drug Candidates	3
Exploring Structural Requirement of Curcumin-Based CK2 Inhibitors as Anticancer Agents: 3D-QSAR, Pharmacophore Modeling, Virtual Screening, and Molecular Docking	3
Pyridazinone: Current Progress in Synthesis of its Derivatives and Biological Activity	3
Carbohydrates in Computational and Medicinal Chemistry	3
Benzimidazole Conjugates as Multi-target Anticancer Agents - A Comprehensive Review	3
Pharmacological Evaluation of Bioisosterically Replaced and Triazole- Tethered Derivatives for Anticancer Therapy	3
Heterocyclic Derivatives in Parkinson’s Therapy: Recent Advances and Prospects	3
Preface	3
Unlocking the Biological Potential of 2-Pyridones: Synthesis, Antioxidant and Antimicrobial Activity of N-Phenacylated 5/6-Chloro-2-pyridones	3
Discovery of the PARP1 Inhibitors from Natural Compounds Using Structure-Based Virtual Screening and Bioactivity Evaluation	3
Inhibitors of Phosphatidylinositol-specific Phospholipase C wit h Myo-inositol Scaffold	3
Triple Action of Lignosulfonic Acid Sodium: Anti-protease, Antioxidant, and Anti-inflammatory Effects of a Polymeric Heparin Mimetic	3
Synthesis and SAR of Potential Anti-Cancer Agents of Quinoline Analogues: A Review	3
Design and Synthesis of 3-(Phenylsulfonamido)benzamide Derivatives as Potent Carbonic Anhydrase IX Inhibitors: Biological Evaluations and Molecular Modeling Studies	3
A Step Towards Development and Bio-evaluation of a Novel Radio-ligand 99mTc-CYX-DTPA Targeting Sigma 2 Receptors	3
Trifluoromethylated Aryl Sulfonamides as Novel CETP Inhibitors: Synthesis, Induced Fit Docking, Pharmacophore Mapping and Subsequent In vitro Validation	3
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-Proline	3
A Computational Approach Using α-Carbonic Anhydrase to Find Anti-Trypanosoma cruzi Agents	3
Synthesis and Molecular Docking of New N-Acyl Hydrazones- Benzimidazole as hCA I and II Inhibitors	3
Research Progress of G Protein-coupled Receptor 52 on Central Nervous System Diseases	3
A Complex Methodological Approach for the Screening of Efficient and Safe Cobalt Chelators	3
Structure-Activity Relationships of Pyrimidine Derivatives and their Biological Activity - A Review	2
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 Assay	2
Mapping the Landscape of Global Anticancer Organometallics Research: A Systematic Review	2
ZN002: A Novel Natural Product Small Molecule Inhibitor Targets the Coxsackie-Adenovirus Receptor (CAR) to Control Coxsackie B3 Viral Proliferation	2
In Silico Studies of Phytoconstituents to Identify Potential Inhibitors for ERα Protein of Breast Cancer	2
Marine-derived Natural Products as Anticancer Agents	2
Promising Anticancer Activity of Pyrazole Compounds against Glioblastoma Multiforme: Their Synthesis, In vitro, and Molecular Docking Studies	2
Recent Advances on Natural and Non-Natural Xanthones as Potential Anticancer Agents: A Review	2
Synthesis, Characterization, and Investigation of Doxorubicin Drug Release Properties of Poly(acrylamide-co-acrylic Acid/Maleic Acid)-Hydroxyapatite Composite Hydrogel	2
Mannich Bases: Centrality in Cytotoxic Drug Design	2
Design, Synthesis, and Anti-Breast Cancer Activity of Novel Fluorinated 7-O-Modified Genistein Derivatives	2
Synthesis and Evaluation of Novel Substituted N-Aryl 1,4-Dihydropyridines as Antituberculostatic Agents	2
Heterocyclic Compounds as Bcr-Abl Tyrosine Kinase Inhibitors Against Chronic Myeloid Leukemia	2
In silico Evaluation of the Antibacterial Potential of the Cyclic Tetrapeptide Tentoxin Derived from Alternaria alternate	2

Exploring the Diverse Therapeutic Applications of 1, 3-Thiazine: A Comprehensive Review	2
Recent Development in Small Molecules for SARS-CoV-2 and the Opportunity for Fragment-Based Drug Discovery	2
In silico Prediction of ADMET/Drug-likeness Properties of Bioactive Phloroglucinols from Hypericum Genus	2
An Insight into COVID-19 and Traditional Herbs: Bangladesh Perspective	2
Synthesis of New Thiazole Clubbed Imidazo[2,1-b]thiazole Hybrid as Antimycobacterial Agents	2
Synthesis, Characterization, and Pharmacological Evaluation of Zn 4 O(BDC) 3 : Anticancer, Antidia	2
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 Non	2
Calixarenes and their Relevance in Anticancer Drug Development	2
Virtual Screening of HBV Capsid Assembly Modulators with the Combination of Pharmacophore Modeling and Hydrogen Bond Constraints	2
Bioactive Compounds from Myrica esculenta: Antioxidant Insights and Docking Studies on H + K + -AT	2
Acknowledgements to Reviewers	2
An Explicative Review on the Current Advancement in Schiff Base-Metal Complexes as Anticancer Agents Evolved in the Past Decade: Medicinal Chemistry Aspects	2
Marine-Derived Compound Targeting mTOR and FGFR-2: A Promising Strategy for Breast, Lung, and Colorectal Cancer Therapy	2
Exploring the Cholinesterase Inhibitory Potential of Azines Bearing a 4,4-bisdimethylaminobenzophenone Scaffold: An Experimental and Computational Approach	2
Syntheses and Identification of New Dithiophosphinic Acid Complexes and Their Potential as Photodynamic Agents in Cancer Therapy	2
Characterization of the Cytotoxic Effect of Naphthalenacetamides Hydrochlorides on Cervical Cancer-Derived Cells	2
In-Silico Prediction of Novel Fused Quinazoline Based Topoisomerase Inhibitors as Anticancer Agents	2
Synthesis and Anticancer Activity of Novel Chromene Derivatives, Chromeno[2,3-d][1,3]Oxazines, and Chromeno[2,3-d]Pyrimidines	2
Quinoline-based Anti-oncogenic Molecules: Synthesis and Biological Evaluation	2
Structure-based Virtual Screening from Natural Products as Inhibitors of SARS-CoV-2 Spike Protein and ACE2 Receptor Binding and their Biological Evaluation In vitro	2
In vitro and In vivo Activity of a New N-Oxide Derivative for Acne Vulgaris Treatment	2
Unveiling the Therapeutic Potential of 8-Hydroxyquinoline: A Multi-Targeting Approach	2