Medicinal Chemistry

Article	Citations
Substituted 4H-3,1-benzoxazine-4-one Derivatives as Inhibitors of Cathepsin G	37
Anti-oxidant and Antiproliferative Activities of Mongolian Medicinal Plant Extracts and Structure Isolation of Gnetin-H Compound	37
Potential Inhibitors of SARS-CoV-2 Developed through Machine Learning, Molecular Docking, and MD Simulation	32
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	31
Synthesis, Antimicrobial Activity, DFT, Molecular Docking, and Dynamic Simulations of Trityl Mannopyranoside Derivatives for Potential Antibacterial Agents	25
A Search for New Amidrazone Derivatives Containing 4-Oxybut-2-enoic Acid Moiety as Antibacterial Agents	23
Pyrazolo - Pyrimidines as Targeted Anticancer Scaffolds - A Comprehensive Review	20
2-Substituted Benzoxazoles as Potent Anti-Inflammatory Agents: Synthesis, Molecular Docking and In vivo Anti-Ulcerogenic Studies	19
Incorporating Antimicrobial Activity During Synthesis of New Acid-Azo Dyes: Thermal Stability and Application on Various Fabrics	18
New Route to the Synthesis of Novel Pyrazolo[1,5-a]pyrimidines and Evaluation of their Antimicrobial Activity as RNA Polymerase Inhibitors	18
Quinone-Based Drugs: An Important Class of Molecules in Medicinal Chemistry	18
Preface	18
Promising Molecular Targets Related to Polyamine Biosynthesis in Drug Discovery against Leishmaniasis	17
GPR18 and GPR55-related Ligands Serving as Antagonists or Agonists: Current Situation, Challenges and Perspectives	17
Synthesis, Biological Evaluation, and QPLD Studies of Piperazine Derivatives as Potential DPP-IV Inhibitors	17
The Catalysts-Based Synthetic Approaches to Quinolines: A Review	17
Synthesis and In Vitro anti-HCV and Antitumor Evaluation of Schisandronic Acid Derivatives	16
Design, Synthesis, in silico and in vitro Evaluation of New Combretastatin A-4 Analogs as Antimitotic Antitumor Agents	16
Synthesis and Structure-Activity Relationship Studies of N-monosubstituted Aroylthioureas as Urease Inhibitors	16
Novel Caffeic Acid - Zinc Acetate Complex: Studies on Promising Antidiabetic and Antioxidative Synergism Through Complexation	15
An Explicative Review on the Progress of Quinazoline Scaffold as Bioactive Agents in the Past Decade	15
Synthesis and Bio-evaluation of 2-Alkyl Substituted Fluorinated Genistein Analogues against Breast Cancer	15
Synthesis of Some Novel Benzimidazole Derivatives as Anticancer Agent and Evaluation for CDK2 Inhibition Activity	15
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	15
Synthesis and Structural Activity Relationship Study of Ursolic Acid Derivatives as Antitubercular Agent	14

Blueberries and Their Polyphenols: A Review of the Evidence and the Potential Impact on Inflammation, Oxidative Stress, Vascular and Cardiometabolic Function	14
Synthesis and Antiproliferative Activity Evaluation of B-norcholesterol-6- amide Compounds	13
WITHDRAWN: Bismuth(III) Complexes with Schiff Bases: Synthesis, Characterization, Interaction with Biomolecules, Antioxidant and Antimicrobial Activity	12
Exploring Phytochemicals as Potential Inhibitors of Cancer Cell Metabolic Pathways: A Computational Study	12
Synthesis, Characterization, and In Vitro and In Silico Studies of New Triazole Derivatives as Aromatase Inhibitors	12
1,3,4-Thiadiazole: A Versatile Pharmacophore of Medicinal Significance	12
Revisiting Purine Nucleoside Cholinesterase Inhibitors - An Experimental Glycon Structure/Activity Relationship Study	12
Recent Advances in Nitrogen-Containing Heterocyclic Scaffolds as Antiviral Agents	11
Application and Progress of Machine Learning in Pesticide Hazard and Risk Assessment	11
Design and Synthesis of Novel Celecoxib Analogues with Potential Cytotoxic and Pro-apoptotic Activity against Breast Cancer Cell Line MCF-7	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
New Approach as Inhibitor Against Head-Neck Cancer by In silico, DFT, FMOs, Docking, Molecular Dynamic, and ADMET of Euphorbia tirucalli (Pencil Cactus)	10
Structural Scaffolds as Anti- Alzheimer Agents	10
Antioxidant and Antimicrobial Potential, BSA and DNA Binding Properties of Some 3-Hydroxy-3-Pyrrolin-2-Ones Bearing Thenoyl Fragment	10
Structural Bioinformatics Used to Predict the Protein Targets of Remdesivir and Flavones in SARS-CoV-2 Infection	10
Nitrogen-fused Heterocycles: Empowering Anticancer Drug Discovery	10
Would the Development of a Multitarget Inhibitor of 3CLpro and TMPRSS2 be Promising in the Fight Against SARS-CoV-2?	10
Coumarins and Quinolones as Effective Multiple Targeted Agents Versus Covid-19: An In Silico Study	10
Synthetic Methods for Various Chromeno-fused Heterocycles and their Potential as Antimicrobial Agents	10
Efficient Synthesis of Mannopyranoside-based Fatty Acyl Esters: Effects of Acyl Groups on Antimicrobial Potential	10
Design, Synthesis and Biological Evaluation of Novel N-Alkyl-4-Methyl-2,2- Dioxo-1H-2λ6,1-Benzothiazine-3-Carboxamides as Promising Analgesics	9
Chemical IN04 Inhibits the Kinase Domain not the ROC Domain of LRRK1: Results from Homology Modeling and Molecular Docking	9
Design, Synthesis and Anticonvulsant Activity of Cinnamoyl Derivatives of 3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1-(2H)-one Oxime	9
Acknowledgements to Reviewers	9
Screening of Novel Inhibitors Targeting the Non-ATP-binding Domain of Staphylococcus aureus SecA1	9
Synthesis and Antibacterial Evaluation of Novel Small-Molecule Antibacterials of a Reduced Acridine Structure in S. aureus Strains Including MRSA	9
In-silico Investigations for the Identification of Novel Inhibitors Targeting Hepatitis C Virus RNA-dependent RNA Polymerase	8
Expanding Therapeutic Horizons with Indazole-Based Compounds: A Review of Anticancer, Antimicrobial, and Neuroprotective Applications	8
Structure-Based Discovery of Potent Staphylococcus aureus Thymidylate Kinase Inhibitors by Virtual Screening	7
Current Research on Pro-drug Therapies for Parkinson's and Alzheimer's Disease	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
Synthesis and Evaluation of Antibacterial and Antifungal Activities In vitro and In silico of Novel Morpholinoalkoxychalcones	7
Promising Potential of Curcumin and Related Compounds for Antiviral Drug Discovery	7
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance	7
Synthesis and Biological Evaluation of Novel 2-imino-4-thiazolidinones as Potential Antitumor Agents for Glioblastoma	7
Synthesis, Biological Profile, and Molecular Docking of Some New Bis- Imidazole Fused Templates and Investigation of their Cytotoxic Potential as Anti-tubercular and/or Anticancer Prototypes	7
Antidiabetic and Antioxidative Properties of Novel Zn(II)-cinnamic Acid Complex	7
Unveiling the Anti-cancer Potential of Oxadiazole Derivatives: A Comprehensive Exploration of Structure-Activity Relationships and Chemico-Biological Insights	7
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	7
Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods	7
Chalcones as Scavengers of HOCl and Inhibitors of Oxidative Burst: Structure-Activity Relationship Studies	7
A New Series of Triazolothiadiazines as Potential Anticancer Agents for Targeted Therapy of Non-Small Cell Lung and Colorectal Cancers: Design, Synthesis, In silico and In vitro Studies Providing Mech	7
In Silico Analysis and Molecular Docking of Human Antimicrobial Peptides for Targeting Monkeypox Virus: Potential Therapeutic Implications of Histatin 5 Peptide	7
In silico Study of Novel Tryptanthrin-Based Topoisomerase Inhibitors	7
A Review on the Development of Novel Heterocycles as α-Glucosidase Inhibitors for the Treatment of Type-2 Diabetes Mellitus	7
Platinum Group Metals against Parasites: State of the Art and Future Perspectives	7
Organocatalytic Synthesis and Antitumor Activity of Novel 1,2,3-triazoles Derived from Fatty β-ketoesters	6
Design and Synthesis of Novel Anti-inflammatory/Anti-ulcer Hybrid Molecules with Antioxidant Activity	6
A Series of Trifluoromethylisoxazolyl- and Trifluoromethylpyrazolyl- Substituted (Hetero)aromatic Sulfonamide Carbonic Anhydrase Inhibitors: Synthesis, and Convenient Prioritization Workflow for Furth	6
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)-ones	6

Effective Synthesis of Dopamine Dimer	6
Styrylquinolines Derivatives: SAR Study and Synthetic Approaches	6
Identification of the First “Two Digit Nano-molar” Inhibitors of the Human Glyoxalase-I Enzyme as Potential Anticancer Agents	6
Drug Resistance in the HIV-1 Subtype C Protease Enzyme: A High Throughput Virtual Screening Approach in Search of New Ligands with Activity	5
Evaluation of Anticancer and Epidermal Growth Factor Receptor Inhibition Activity by Benzochromeno Pyrimidin Derivatives in Three Human Cancer Cell Lines	5
Piroxicam Analogs: Design, Synthesis, Docking Study and Biological Evaluation as Promising Anti-HIV-1 Agents	5
Discovery of a “Cocktail” of Potential SARS-COV-2 Main Protease Inhibitors through Virtual Screening of Known Chemical Components of Vitex negundo L. (“Lagundi”)	5
Synthesis, Molecular Docking and ADME Prediction of 1H-indole/5- substituted Indole Derivatives as Potential Antioxidant and Anti- Inflammatory Agents	5
Synthesis and Antibacterial Activity of Erythromycin 9-Acylhydrazone Derivates	5
Study of Structurally Diverse Currently Used and Recently Developed Antimycobacterial Drugs	5
Synthesis of 4-styrylpyrazoles and Evaluation of their Inhibitory Effects on Cyclin-dependent Kinases	5
Unlocking the Multifunctional Therapeutic Potential of Herbacetin: A Flavone derived Scaffold	5
Chalcones: As Potent α-amylase Enzyme Inhibitors; Synthesis, In Vitro, and In Silico Studies	5
In Silico Discovery and Predictive Modeling of Novel Acetylcholinesterase (AChE) Inhibitors for Alzheimer's Treatment	5
Emerging Role of Natural Topoisomerase Inhibitors as Anticancer agents	5
One-Pot Synthesis of Benzoxazoles: A Promising Approach to Aromatic Heterocyclic Compounds Preparation	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
Application of Iodine-Amine Oxidation Approach in the Synthesis of Various N-Alkyl Phosphoramidate Oligonucleotide Derivatives	5
Design, Synthesis, and Anti-Neuroinflammatory Activity of Amide- Containing Dithiolethiones	5
Acknowledgements to Reviewers	5
Exploring the Therapeutic Marvels: A Comprehensive Review on the Biological Potential of Quinoline-5,8-Dione	5
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 Agents	5
Recent Advances in N-Heterocycles for COVID-19 Treatment - A Mini Review	4
Naphthofuran Derivative BF4, a New Potent SIRT1 Activator, Regulates Lipid Metabolism in 3T3-L1 Adipocytes via the SIRT1-AMPK Pathway	4
Synthesis, Assessment of Antineoplastic Activity, and Molecular Docking of Novel 2-Thioxo-oxazolidin-4-one Derivatives	4
Natural Products as a Major Source of Candidates for Potential Senolytic Compounds obtained by in silico Screening	4
Synthesis, Biological Evaluation, and Docking Studies of Open-Chain Carbohydrate Amides as Acetylcholinesterase Inhibitors	4
Multi-Targeted Molecular Docking and Drug-Likeness Evaluation of some Nitrogen Heterocyclic Compounds Targeting Proteins Involved in the Development of COVID-19	4
Design, Synthesis, and Docking Studies of Thioimidazolyl Diketoacid Derivatives Targeting HIV-1 Integrase	4
Recent Advances in the Medicinal Chemistry of Cancer (Part II)	4
Bioisosterism in Drug Discovery and Development - An Overview	4
Synthesis, Characterization, and in vitro Anti-Inflammatory Activity of Novel Ferrocenyl(Piperazine-1-Yl)Methanone-based Derivatives	4
Design, Synthesis and Biological Evaluation of Coumarin Derivatives as NEDD8 Activating Enzyme Inhibitors in Pancreatic Cancer Cells	4
In silico and In vitro Assessment of Dimeric Flavonoids (Brachydins) on Rhipicephalus microplus Glutathione S-transferase	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
Quinoline: Synthesis to Application	4
Pharmacochemical Study of Multitarget Amino Acids’ Hybrids: Design, Synthesis, In vitro, and In silico Studies	4
Discovery of the PARP1 Inhibitors from Natural Compounds Using Structure-Based Virtual Screening and Bioactivity Evaluation	3
Synthesis and Molecular Docking of New N-Acyl Hydrazones- Benzimidazole as hCA I and II Inhibitors	3
Exploring Pyridine-Based Schemes: A Comprehensive Review on their Synthesis and Therapeutic Applications	3
Exploring Structural Requirement of Curcumin-Based CK2 Inhibitors as Anticancer Agents: 3D-QSAR, Pharmacophore Modeling, Virtual Screening, and Molecular Docking	3
Isatin Conjugates as Antibacterial Agents: A Brief Review	3
Preface	3
Structure-Activity Relationships of Pyrimidine Derivatives and their Biological Activity - A Review	3
Trifluoromethylated Aryl Sulfonamides as Novel CETP Inhibitors: Synthesis, Induced Fit Docking, Pharmacophore Mapping and Subsequent In vitro Validation	3
Inhibitors of Phosphatidylinositol-specific Phospholipase C with Myo-inositol Scaffold	3
Synthesis and SAR of Potential Anti-Cancer Agents of Quinoline Analogues: A Review	3
Carbohydrates in Computational and Medicinal Chemistry	3
Synthesis and Biological Evaluation of Amino Acid and Peptide Conjugates of 5-Bromovaleric Acid	3
From Anti-infective Agents to Cancer Therapy: A Drug Repositioning Study Revealed a New Use for Nitrofuran Derivatives	3
Curcumin-Based Virtual Screening Identifies Inhibitors of SARS-CoV-2 Spike Protein and ACE2 Receptor Binding	3
Benzimidazole Conjugates as Multi-target Anticancer Agents - A Comprehensive Review	3
In silico Evaluation of Ferulic Acid Based Multifunctional Conjugates as Potential Drug Candidates	3
Research Progress of G Protein-coupled Receptor 52 on Central Nervous System Diseases	3
Triple Action of Lignosulfonic Acid Sodium: Anti-protease, Antioxidant, and Anti-inflammatory Effects of a Polymeric Heparin Mimetic	3
A Complex Methodological Approach for the Screening of Efficient and Safe Cobalt Chelators	3
Design and Synthesis of 3-(Phenylsulfonamido)benzamide Derivatives as Potent Carbonic Anhydrase IX Inhibitors: Biological Evaluations and Molecular Modeling Studies	3
Heterocyclic Derivatives in Parkinson’s Therapy: Recent Advances and Prospects	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
Unlocking the Biological Potential of 2-Pyridones: Synthesis, Antioxidant and Antimicrobial Activity of N-Phenacylated 5/6-Chloro-2-pyridones	3
Heterocyclic Compounds as Bcr-Abl Tyrosine Kinase Inhibitors Against Chronic Myeloid Leukemia	2
Novel 2-Nitroimidazole and Imidazooxazole Derivatives and their Activity against Trypanosoma cruzi and Mycobacterium tuberculosis	2
Functionalized Homologues and Positional Isomers of Rabbit 15- Lipoxygenase RS75091 Inhibitor	2
Inhibition of iNOS by Benzimidazole Derivatives: Synthesis, Docking, and Biological Evaluations	2
Design, Synthesis, and Anti-Breast Cancer Activity of Novel Fluorinated 7-O-Modified Genistein Derivatives	2
Synthesis, Molecular Docking, BSA, and In Vitro Reactivation Study of Imidazopyridine Oximes Against Paraoxon Inhibited Acetylcholinesterase	2
Synthesis and Evaluation of Novel Substituted N-Aryl 1,4-Dihydropyridines as Antituberculostatic Agents	2
Pharmacological Evaluation of Bioisosterically Replaced and Triazole- Tethered Derivatives for Anticancer Therapy	2
Diverse Pharmacological Potential of Pyridazine Analogs against Various Diseases	2
Synthesis of New Thiazole Clubbed Imidazo[2,1-b]thiazole Hybrid as Antimycobacterial Agents	2
In Silico Studies of Phytoconstituents to Identify Potential Inhibitors for ERα Protein of Breast Cancer	2
Recent Advances on Natural and Non-Natural Xanthones as Potential Anticancer Agents: A Review	2
Mannich Bases: Centrality in Cytotoxic Drug Design	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
Exploring the Diverse Therapeutic Applications of 1, 3-Thiazine: A Comprehensive Review	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
Naphthoquinone-based Hydrazone Hybrids: Synthesis and Potent Activity Against Cancer Cell Lines	2
Synthesis and Anticancer Activity of Novel Chromene Derivatives, Chromeno[2,3-d][1,3]Oxazines, and Chromeno[2,3-d]Pyrimidines	2

Synthesis, Cytotoxicity, Anti-Migration and Anti-Invasion Activity of Diphyllin Heterocyclic Derivatives	2
Calixarenes and their Relevance in Anticancer Drug Development	2
Synthesis and Evaluation of Chiral Rhodanine Derivatives Bearing Quinoxalinyl Imidazole Moiety as ALK5 Inhibitors	2
A Step Towards Development and Bio-evaluation of a Novel Radio-ligand 99mTc-CYX-DTPA Targeting Sigma 2 Receptors	2
In vitro and In vivo Activity of a New N-Oxide Derivative for Acne Vulgaris Treatment	2
Quinoline-based Anti-oncogenic Molecules: Synthesis and Biological Evaluation	2
An Insight into COVID-19 and Traditional Herbs: Bangladesh Perspective	2
Marine-derived Natural Products as Anticancer Agents	2
In-Silico Prediction of Novel Fused Quinazoline Based Topoisomerase Inhibitors as Anticancer Agents	2
Multi-Target Directed Compounds with Antioxidant and/or Anti- Inflammatory Properties as Potent Agents for Alzheimer’s Disease	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
Design, Synthesis and Evaluation of 2,4,6-substituted Pyrimidine Derivatives as BACE-1 Inhibitor: Plausible Lead for Alzheimer’s Disease	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
Bioactive Compounds from Myrica esculenta: Antioxidant Insights and Docking Studies on H+K+-ATPase and H2 Receptor Targets	2
Acknowledgements to Reviewers	2
Exploring Thiophene Derivatives: Synthesis Strategies and Biological Significance	2
A Computational Approach Using α-Carbonic Anhydrase to Find Anti-Trypanosoma cruzi Agents	2
Synthesis, Characterization, and Investigation of Doxorubicin Drug Release Properties of Poly(acrylamide-co-acrylic Acid/Maleic Acid)-Hydroxyapatite Composite Hydrogel	2
Computational and Synthetic Biology Approaches for the Biosynthesis of Antiviral and Anticancer Terpenoids from Bacillus subtilis	2
Promising Anticancer Activity of Pyrazole Compounds against Glioblastoma Multiforme: Their Synthesis, In vitro, and Molecular Docking Studies	2
Synthesis, Characterization, and Pharmacological Evaluation of Zn4O(BDC)3: Anticancer, Antidiabetic, and Drug Delivery Potential	2