Future Medicinal Chemistry

Article	Citations
10 Years Into the Resurgence of Covalent Drugs	73
De Novo Design of New Chemical Entities for SARS-CoV-2 Using Artificial Intelligence	62
N -Heterocyclic Carbene-Metal Complexes as Bio-Organometallic Antimicrobial and Anticancer Drugs, an Update (2015–2020)	60
Computational Repurposing of Benzimidazole Anthelmintic Drugs As Potential Colchicine Binding Site Inhibitors	55
HeroMDAnalysis: An Automagical Tool for GROMACS-Based Molecular Dynamics Simulation Analysis	46
The Role of microRNA-21 in the Onset and Progression of Cancer	45
Novel Carbonic Anhydrase Inhibitors	37
New Horizons in Lung Cancer Management Through ATR/CHK1 Pathway Modulation	36
PROTAC Cell Permeability and Oral Bioavailability: A Journey Into Uncharted Territory	34
Sirtuin Modulators: Past, Present, and Future Perspectives	33
Bacterial Carbonic Anhydrases: Underexploited Antibacterial Therapeutic Targets	33
Urea-functionalized Organoselenium Compounds As Promising anti-HepG2 and apoptosis-inducing Agents	32
Mechanisms of Ebselen as a Therapeutic and Its Pharmacology Applications	31
Novel N -bridged pyrazole-1-carbothioamides With Potential Antiproliferative Activity: design, synthesis, In Vitro and In S	30
Melatonin Synthesis in and Uptake By Mitochondria: Implications for Diseased Cells With Dysfunctional Mitochondria	29
Antibacterial Pyrazoles: Tackling Resistant Bacteria	29
The Role of HGF/MET in Liver Cancer	29
The Promise and Current Status of CDK12/13 Inhibition for the Treatment of Cancer	25
Design of SARS-CoV-2 Mpro, PLpro Dual-Target Inhibitors Based on Deep Reinforcement Learning and Virtual Screening	25
Novel Strategies in the War Against Antibiotic Resistance	25
Identification of a Novel Antifungal Backbone of Naphthalimide Thiazoles with Synergistic Potential for Chemical and Dynamic Treatment	25
Designing HDAC-PROTACs: Lessons Learned So Far	24
Development of Novel Anti-Infective and Antioxidant Azole Hybrids using a Wet and Dry Approach	22
The Maturation of DNA Encoded Libraries: Opportunities for New Users	22
Kaempferol Attenuates the Effects of XIST/miR-130a/STAT3 on Inflammation and Extracellular Matrix Degradation in Osteoarthritis	22

Recent Advances in Research of Colchicine Binding Site Inhibitors and Their Interaction Modes With Tubulin	21
Machine Learning and Deep Learning in Data-Driven Decision Making of Drug Discovery and Challenges in High-Quality Data Acquisition in the Pharmaceutical Industry	20
Exploring ACSL4/LPCAT3/ALOX15 and SLC7A11/GPX4/NFE2L2 as Potential Targets in Ferroptosis-Based Cancer Therapy	20
GLUT1 Biological Function and Inhibition: Research Advances	19
Antimicrobial Innovation: a Current Update and Perspective on the Antibiotic Drug Development Pipeline	19
Rutin-Loaded Liquid Crystalline Nanoparticles Attenuate Oxidative Stress in Bronchial Epithelial Cells: A PCR Validation	19
Indole Derivatives (2010–2020) As Versatile Tubulin Inhibitors: Synthesis and structure–activity Relationships	18
The Story of EGFR: From Signaling Pathways to a Potent Anticancer Target	18
Complementarity Principle in Terms of Electron Density for the Study of EGFR Complexes	18
Synthesis and Studies of Thiazolidinedione–Isatin Hybrids As α-Glucosidase Inhibitors for Management of Diabetes	18
Targeting the Bacterial SOS Response for New Antimicrobial Agents: Drug targets, Molecular Mechanisms and Inhibitors	18
Proteolysis Targeting Chimeras in Antiviral Research	17
The Urgent Need for pan-antiviral Agents: From Multitarget Discovery to Multiscale Design	17
New Evidence for Tamoxifen as an Antischistosomal Agent:In Vitro,In Vivoand Target Fishing Studies	17
Biological and Computational Investigation of Transition metal(II) Complexes of 2-phenoxyaniline-based Ligands	16
Synthesis and In Vitro Studies for Structure-Based Design of Novel Chalcones As Antitubercular Agents Targeting InhA	16
The Powerful Symbiosis Between Synthetic and Medicinal Chemistry	16
The Diverse Bioactivity of α-mangostin and Its Therapeutic Implications	15
Xanthohumol Alleviates T2DM-induced Liver Steatosis and Fibrosis by Mediating the NRF2/RAGE/NF-κB Signaling Pathway	15
Research Advances in NQO1-Responsive Prodrugs and Nanocarriers for Cancer Treatment	15
Polyhydroquinoline Derivatives for Diabetic Management: Synthesis, in Vitro and in Silico Approaches	14
Design, Synthesis and In Vitro Antiproliferation Activity of Some 2-aryl and -heteroaryl Benzoxazole Derivatives	14
Can Natural Products Stop the SARS-CoV-2 virus? a Docking and Molecular Dynamics Study of a Natural Product Database	14
Novel Benzimidazole Derivatives as Effective Inhibitors of Prolyl Oligopeptidase: Synthesis, in Vitro and in Silico Analysis	14
Small-Molecule Inhibitors of Carboxylesterase Notum	14
Whole Blood Or Plasma: What is the Ideal Matrix for pharmacokinetic-driven Drug Candidate selection?	14
Challenges and Opportunities for In Vivo PROTAC Delivery	13
New 1,3,4-thiadiazoles Derivatives: Synthesis, Antiproliferative Activity, Molecular Docking and Molecular Dynamics	13
FAK Inhibitors As Promising Anticancer Targets: Present and Future Directions	13
Curcumin-based Nanoformulations As an Emerging Therapeutic Strategy for Inflammatory Lung Diseases	13
Recent Developments of RET Protein Kinase Inhibitors With Diverse Scaffolds As Hinge Binders	12
Pyrazole: an Emerging Privileged Scaffold in Drug Discovery	12
Prevention and Treatment of Radiation-Induced Lung Injury	12
Synovial Mesenchymal Stem Cell-Derived Exosomal miR-320c Enhances Chondrogenesis By Targeting ADAM19	12
An Update on the Recent Advances and Discovery of Novel Tubulin Colchicine Binding Inhibitors	12
Development and Implementation of an enterprise-wide Predictive Model for Early absorption, distribution, Metabolism and Excretion Properties	12
Advances of Biphenyl Small-Molecule Inhibitors Targeting PD-1/PD-L1 Interaction in Cancer Immunotherapy	12
Advances in the Application of 1,2,4-Triazole-Containing Hybrids as Anti-Tuberculosis Agents	11
Green Synthesis of Nonprecious Metal-Doped Copper Hydroxide Nanoparticles for Construction of a Dopamine Sensor	11
Polyglycerol-based Hydrogels and Nanogels: From Synthesis to Applications	11
Concepts of Advanced Therapeutic Delivery Systems for the Management of Remodeling and Inflammation in Airway Diseases	11
Selection of SARS-CoV-2 Main Protease Inhibitor Using Structure-Based Virtual Screening	11
Breaker Peptides Against amyloid-β Aggregation: a Potential Therapeutic Strategy for Alzheimer’s Disease	11
The Potential Association Between PARP14 and SARS-CoV-2 Infection (COVID-19)	11
Ligand-based Design of Anticancer MMP2 Inhibitors: a Review	10
Sulfonamide-salicylaldehyde Imines Active Against methicillin- and trimethoprim/sulfonamide-resistant Staphylococci	10
Triazole-Containing Hybrids With Anti- Mycobacterium Tuberculosis Potential – Part I: 1,2,3-Triazole	10
Nanomedicine in the Treatment of Diabetic Nephropathy	10
New Theobromine Derivatives Inhibiting VEGFR-2: Design, Synthesis, Antiproliferative, Docking and Molecular Dynamics Simulations	10
Multitarget Therapeutic Approaches for Alzheimer's and Parkinson's Diseases: An Opportunity or an illusion?	10

‘Lights, Squaraines, Action!’ – The Role of Squaraine Dyes in Photodynamic Therapy	9
Antibacterial Properties and Carbonic Anhydrase Inhibition Profiles of Azido Sulfonyl Carbamate Derivatives	9
GANT61 Elevates Chemosensitivity to Cisplatin Through Regulating the Hedgehog, AMPK and cAMP Pathways in Ovarian Cancer	9
Mitochondrial Dysfunctions Associated With Chronic Respiratory Diseases and Their Targeted Therapies: an Update	9
Rapid structure-based Identification of Potential SARS-CoV-2 Main Protease Inhibitors	9
HIV-1 Capsid Inhibitors: A Sword to Destroy the Virus	9
Latest Advances in Specific Inhibition of Tumor-Associated Carbonic Anhydrases	9
E3 Ligases: a Potential Multi-Drug Target for Different Types of Cancers and Neurological Disorders	9
Leveraging Conformational Control About a Potential Atropisomeric Axis As a Strategy in Medical Chemistry	9
A Review of Current and Promising Nontuberculous Mycobacteria Antibiotics	9
Human Sirtuin 2 inhibitors, Their Mechanisms and Binding Modes	8
Bacterial FtsZ Inhibition By Benzo[ d ]imidazole-2-Carboxamide Derivative With anti-TB Activity	8
Achieving Effective and Selective CK1 Inhibitors Through Structure Modification	8
Raloxifene, Identified As a Novel LSD1 Inhibitor, Suppresses the Migration of Renal Cell Carcinoma	8
Evading Antimicrobial Resistance Using boron-containing Therapeutics	8
Synthesis, Biochemical Evaluation and Molecular Modeling Studies of Nonpeptidic nitrile-based Fluorinated Compounds	8
Recent Approaches to mRNA Vaccine Delivery By Lipid-Based Vectors Prepared By Continuous-Flow Microfluidic Devices	8
A Systematic Review of carbohydrate-based Bioactive Molecules for Alzheimer’s Disease	8
Erlotinib-Containing Benzenesulfonamides As Anti- Helicobacter Pylori Agents Through Carbonic Anhydrase Inhibition	8
Identification of Known Drugs As Potential SARS-CoV-2 Mpro Inhibitors Using ligand- and Structure-Based Virtual Screening	8
Marine Sponge-Derived/Inspired Drugs and Their Applications in Drug Delivery Systems	7
In Silico Approaches Using Pharmacophore Model Combined With Molecular Docking for Discovery of Novel ULK1 Inhibitors	7
Structural Characteristics of Small-Molecule Inhibitors Targeting FTO Demethylase	7
Antimicrobial Peptides: Triumphs and Challenges	7
Diphenyl-Substituted Triazine Derivatives: Synthesis, α-glucosidase Inhibitory Activity, Kinetics and In Silico Studies	7
Structure Modification: a Successful Tool for Prodrug Design	7
Advances in Nonclassical Phenyl Bioisosteres for Drug Structural Optimization	7
Synthesis and Antimicrobial Activity of Thiophene-Based Heterocycles Derived from Thiophene-2-Carbohydrazide	7
Advanced Drug Delivery Systems Targeting NF-κB in Respiratory Diseases	7
Discovery of Novel 1,3,5-triazine Derivatives As an Antidiabetic Agent in Wistar Rats Via Inhibition of DPP-4	7
Design and Identification of Two Novel Resveratrol Derivatives As Potential LSD1 Inhibitors	7
Antimicrobial Potential of Quaternary Phosphonium Salt Compounds: a Review	7
1,8-Naphthyridine Derivatives: An Updated Review on Recent Advancements of Their Myriad Biological Activities	7
Synthesis, Antiviral activity, Preliminary Pharmacokinetics and Structural Parameters of Thiazolide Amine Salts	7
Small-Molecule Degraders of Cyclin-Dependent Kinase Protein: A Review	7
Recent Advances in Oxazolidinones as Antituberculosis Agents	7
Synthesis of some Tropane-Based Compounds Targeting Colon Cancer	7
Synthesis and Activity of BNF15 Against drug-resistant Mycobacterium Tuberculosis	7
A Short Overview of Resistance to Approved Histone Deacetylase Inhibitors	7
Design and Synthesis of Novel Tacrine–Indole Hybrids As Potential Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease	7
Perspectives on the Development of First-in-Class Protein Degraders	7
TSPYL2 Reduced Gefitinib Resistance and DNA Damage Repair Via Suppressing SIRT1-Mediated FOXO3 Deacetylation	7
Abiotic Scaffolds in Medicinal Chemistry: Not a Waste of Chemical Space	6
Design and Synthesis of Novel Uracil-Linked Schiff Bases As Dual Histone Deacetylase Type II/topoisomerase Type I Inhibitors With Apoptotic Potential	6
Recent Progress in Small-Molecule Inhibitors for Critical Therapeutic Targets of Necroptosis	6
Novel Trypanocidal Thiophen-Chalcone Cruzain Inhibitors: Structure- and Ligand-Based Studies	6
Current Development of Pyrazole–Azole Hybrids With Anticancer Potential	6
Discovery, Biological Evaluation and Molecular Dynamic Simulations of Butyrylcholinesterase Inhibitors Through Structure-Based Pharmacophore Virtual Screening	6
Improving the Antimicrobial Activity of Old Antibacterial Drug Mafenide: Schiff Bases and Their Bioactivity Targeting Resistant Pathogens	6
Synthesis and Biological Studies of c(RGDyK) Conjugates of Cucurbitacins	6
Evolutionary Algorithm-Based Generation of Optimum Peptide Sequences with Dengue Virus Inhibitory Activity	6
Novel Pyrazoles As Potent Growth Inhibitors of Staphylococci, Enterococci and Acinetobacter Baumannii Bacteria	6
Challenging Breast Cancer Through Novel sulfonamide–pyridine Hybrids: design, synthesis, Carbonic Anhydrase IX Inhibition and Induction of Apoptosis	6
Propargylamine: an Important Moiety in Drug Discovery	6
Medicinal Applications of Coumarins Bearing Azetidinone and Thiazolidinone Moieties	6
Advances in Research With Rutin-Loaded Nanoformulations in Mitigating Lung Diseases	6
COVID-19 Screening in a Healthcare Or Community Setting: Complexity of Saliva As a Specimen for PCR-based Testing	6
Peptide Library Screening As a Tool to Derive Potent Therapeutics: Current Approaches and Future Strategies	6
Novel Xylenyl-Spaced Bis-Thiazoles/Thiazines: Synthesis, Biological Profile as Herpes Simplex Virus Type 1 Inhibitors and in Silico Simulations	6
Repurposing Dyphylline as a Pan-Coronavirus Antiviral Therapy	6
High ELK3 Expression is Associated with the VEGF-C/VEGFR-3 Axis and Gastric Tumorigenesis and Enhances Infiltration of M2 Macrophages	6
Structure-Based Virtual Screening Towards the Discovery of Novel FOXM1 Inhibitors	5
Pyrazol(in)e Derivatives of Curcumin Analogs As a New Class of Anti- Trypanosoma Cruzi Agents	5
Advancement of Targeted Protein Degradation Strategies As Therapeutics for Undruggable Disease Targets	5
Inhibitors of F 1 F 0 -ATP Synthase Enzymes for the Treatment of Tuberculosis and Cancer	5
Protein–Protein Interactions By Influenza Polymerase Subunits As Drug Targets	5
Recent Advancements in the Discovery of Cereblon-Based Protease-Targeted Chimeras With Potential for Therapeutic Intervention	5
Diaminomaleonitrile Derivatives as new Potential Antichagasic Compounds: A Study of Structure–Activity Relationships	5
Proteolysis-Targeting Chimeras in Breast Cancer Therapy	5
Combining EGFR Inhibitors With SHP2 Or LSD1 Inhibitors to Overcome Multidrug Resistance in Cancer	5
New (S)-verbenone-isoxazoline-1,3,4-thiadiazole Hybrids: Synthesis, Anticancer Activity and Apoptosis-Inducing Effect	5
Biological Activity Evaluation of Novel Monoamine Oxidase Inhibitory Compounds Targeting Parkinson Disease	5
Recent Advances of Cannabidiol Studies in Medicinal chemistry, Pharmacology and Therapeutics	5
Clinical Progress of KRAS-targeted Therapies: What next?	5
New Indole Derivatives As Multitarget anti-Alzheimer's Agents: synthesis, Biological Evaluation and Molecular Dynamics	5
Natural Products As Lead Compounds for Treatment of Neglected Tropical Diseases: Dream Or reality?	5
Histamine H 2 Receptor Radioligands: Triumphs and Challenges	5
Synthesis, Anticancer Activity, SAR and Binding Mode of Interaction Studies of Substituted Pentanoic Acids: Part II	5
Salvianolic Acid B Noncovalently Interacts With Disordered c-Myc: A Computational and Spectroscopic-Based Study	5
Novel HIF-1α Inhibitor CDMP-TQZ for Cancer Therapy	5

Synthesis, Molecular Modeling and Cholinesterase Inhibitory Effects of 2-Indolinone-Based Hydrazinecarbothioamides	5
Proteolysis-Targeting Chimera Molecules Targeting SHP2	5
Recent Advances in β-catenin/BCL9 protein–protein Interaction Inhibitors	5
Transition metal-catalyzed Synthesis of New 3-substituted Coumarin Derivatives As Antibacterial and Cytostatic Agents	5
PDE4 Inhibitors for Disease Therapy: Advances and Future Perspective	5
Piperazine-1,2,3-triazole Scaffolds: design, synthesis, Anticancer and Antimicrobial Evaluation	5
A Novel Multi-Target Strategy to Attenuate the Progression of Parkinson's Disease by Diamine Hybrid AGE/ALE Inhibitor	5
Exploring the Putative Mechanism of Allosteric Modulations By Mixed-Action Kappa/Mu Opioid Receptor Bitopic Modulators	5
Discovery of Novel STAT3 DNA Binding Domain Inhibitors	5
α -amylase Inhibition and In Silico Studies of Novel Naphtho[2,3- d ]imidazole-4,9-Dione Linked N	5
Engineering ‘Enzymelink’ for Screening Lead Compounds to Inhibit mPGES-1 while Maintaining Prostacyclin Synthase Activity	5
Novel Set of Highly Substituted Bis-Pyridines: Synthesis, Molecular Docking and Drug-Resistant Antibacterial Profile	5