Journal of Medicinal Chemistry

Article	Citations
U.S. FDA Approved Drugs from 2015–June 2020: A Perspective	402
Identification of MRTX1133, a Noncovalent, Potent, and Selective KRASG12D Inhibitor	334
Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19	326
Spirocyclic Scaffolds in Medicinal Chemistry	304
Bioisosteres of the Phenyl Ring: Recent Strategic Applications in Lead Optimization and Drug Design	249
Molecular Glues for Targeted Protein Degradation: From Serendipity to Rational Discovery	182
A Decade of FDA-Approved Drugs (2010–2019): Trends and Future Directions	168
Rings in Clinical Trials and Drugs: Present and Future	159
Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities	152
Small Molecule Kinase Inhibitor Drugs (1995–2021): Medical Indication, Pharmacology, and Synthesis	144
Decision Making in Structure-Based Drug Discovery: Visual Inspection of Docking Results	138
Incorporating Selenium into Heterocycles and Natural Products─From Chemical Properties to Pharmacological Activities	136
Peptide–Drug Conjugates with Different Linkers for Cancer Therapy	132
Reactive Oxygen Species (ROS)-Responsive Prodrugs, Probes, and Theranostic Prodrugs: Applications in the ROS-Related Diseases	125
Design of SARS-CoV-2 PLpro Inhibitors for COVID-19 Antiviral Therapy Leveraging Binding Cooperativity	123
Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors	114
Recent Update on Development of Small-Molecule STAT3 Inhibitors for Cancer Therapy: From Phosphorylation Inhibition to Protein Degradation	112
InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions	111
Unraveling the Role of Linker Design in Proteolysis Targeting Chimeras	110
Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy	107
Rational Design and Synthesis of Novel Dual PROTACs for Simultaneous Degradation of EGFR and PARP	106
Discovery of Aficamten (CK-274), a Next-Generation Cardiac Myosin Inhibitor for the Treatment of Hypertrophic Cardiomyopathy	97
Critical Analysis of Drug Product Recalls due to Nitrosamine Impurities	96
Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer	96
Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 1: Exploration of Antibody Linker, Payload Loading, and Payload Molecular Properties	95

Discovery of ARD-2585 as an Exceptionally Potent and Orally Active PROTAC Degrader of Androgen Receptor for the Treatment of Advanced Prostate Cancer	94
Strategies for Structural Modification of Small Molecules to Improve Blood–Brain Barrier Penetration: A Recent Perspective	91
Generative Models for De Novo Drug Design	89
Progress and Challenges in Targeting the SARS-CoV-2 Papain-like Protease	89
Strategies toward Discovery of Potent and Orally Bioavailable Proteolysis Targeting Chimera Degraders of Androgen Receptor for the Treatment of Prostate Cancer	88
Movement to the Clinic of Soluble Epoxide Hydrolase Inhibitor EC5026 as an Analgesic for Neuropathic Pain and for Use as a Nonaddictive Opioid Alternative	87
Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CLpro)	87
3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents	86
Targeting Bromodomain and Extraterminal Proteins for Drug Discovery: From Current Progress to Technological Development	85
On the Frustration to Predict Binding Affinities from Protein–Ligand Structures with Deep Neural Networks	83
GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer	83
Has Ferrocene Really Delivered Its Role in Accentuating the Bioactivity of Organic Scaffolds?	82
Phenols in Pharmaceuticals: Analysis of a Recurring Motif	82
A Review of Progress in Histone Deacetylase 6 Inhibitors Research: Structural Specificity and Functional Diversity	82
Recent Progress on Tubulin Inhibitors with Dual Targeting Capabilities for Cancer Therapy	81
Membrane-Targeting Neolignan-Antimicrobial Peptide Mimic Conjugates to Combat Methicillin-Resistant Staphylococcus aureus (MRSA) Infections	81
Strategies for Targeting the NLRP3 Inflammasome in the Clinical and Preclinical Space	80
Remdesivir Metabolite GS-441524 Effectively Inhibits SARS-CoV-2 Infection in Mouse Models	80
Recent Update on Targeting c-MYC G-Quadruplexes by Small Molecules for Anticancer Therapeutics	79
CC-90009: A Cereblon E3 Ligase Modulating Drug That Promotes Selective Degradation of GSPT1 for the Treatment of Acute Myeloid Leukemia	79
Design and Synthesis of EZH2-Based PROTACs to Degrade the PRC2 Complex for Targeting the Noncatalytic Activity of EZH2	78
A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors	78
Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer’s Disease	78
The Ascension of Targeted Covalent Inhibitors	78
1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors	77
Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir	77
Tuberculosis Drug Discovery: Challenges and New Horizons	76
Peptidomimetic α-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and in Vitro Biological Stability	75
Development of Membrane-Active Honokiol/Magnolol Amphiphiles as Potent Antibacterial Agents against Methicillin-Resistant Staphylococcus aureus (MRSA)	75
Rational Multitargeted Drug Design Strategy from the Perspective of a Medicinal Chemist	75
Perspectives on SARS-CoV-2 Main Protease Inhibitors	74
Macrocycles in Drug Discovery─Learning from the Past for the Future	73
Discovery of Novel Benzimidazole and Indazole Analogues as Tubulin Polymerization Inhibitors with Potent Anticancer Activities	71
The Medicinal Chemistry of Caffeine	71
Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue–Atom Distance Likelihood Potential and Graph Transformer	71
Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure–Activity Relationship Insights and Evolution Perspectives	71
Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}-N-methylpyridine-2-carboxamide (AZD5305): A PARP1–DNA Trapper with High Selectivity for PARP1 over PAR	70
Amide-to-Ester Substitution as a Strategy for Optimizing PROTAC Permeability and Cellular Activity	69
Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation	69
Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP-Deleted Cancers	69
Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer	69
Targeting Lysosomal Degradation Pathways: New Strategies and Techniques for Drug Discovery	69
The Alpha Keto Amide Moiety as a Privileged Motif in Medicinal Chemistry: Current Insights and Emerging Opportunities	69
Small-Molecule Drug Discovery in Triple Negative Breast Cancer: Current Situation and Future Directions	69
Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies	68
Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors	68
Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer	67
Molecular Engineering of Insulin Icodec, the First Acylated Insulin Analog for Once-Weekly Administration in Humans	66
A Novel Triphenylphosphonium Carrier to Target Mitochondria without Uncoupling Oxidative Phosphorylation	66
Discovery of Cysteine-targeting Covalent Protein Kinase Inhibitors	66

Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure–Activity Relationship, and X-ray Structural Studies	65
Identification of Unique Quinazolone Thiazoles as Novel Structural Scaffolds for Potential Gram-Negative Bacterial Conquerors	64
Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies	64
A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor	63
Hydrogen-Bond Donors in Drug Design	63
Selective Estrogen Receptor Degraders (SERDs): A Promising Strategy for Estrogen Receptor Positive Endocrine-Resistant Breast Cancer	62
Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design	62
Discovery of Soluble Epoxide Hydrolase Inhibitors from Chemical Synthesis and Natural Products	61
Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer	61
Fragment-to-Lead Medicinal Chemistry Publications in 2020	61
Natural Berberine-derived Azolyl Ethanols as New Structural Antibacterial Agents against Drug-Resistant Escherichia coli	61
Design, Synthesis, and Biological Evaluation of Membrane-Active Bakuchiol Derivatives as Effective Broad-Spectrum Antibacterial Agents	61
“Magic Chloro”: Profound Effects of the Chlorine Atom in Drug Discovery	60
Small-Molecule Kinase Inhibitors for the Treatment of Nononcologic Diseases	60
Small-Molecule Inhibitors Directly Targeting KRAS as Anticancer Therapeutics	60
Discovery of MK-1454: A Potent Cyclic Dinucleotide Stimulator of Interferon Genes Agonist for the Treatment of Cancer	59
Identification of Potent, Selective, and Orally Bioavailable Small-Molecule GSPT1/2 Degraders from a Focused Library of Cereblon Modulators	58
Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof	57
The Progress and Promise of RNA Medicine─An Arsenal of Targeted Treatments	57
Design, Synthesis, and Evaluation of VHL-Based EZH2 Degraders to Enhance Therapeutic Activity against Lymphoma	57
Berberine Directly Targets the NEK7 Protein to Block the NEK7–NLRP3 Interaction and Exert Anti-inflammatory Activity	56
Integrative Modeling of PROTAC-Mediated Ternary Complexes	56
Novel Biphenyl Pyridines as Potent Small-Molecule Inhibitors Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction	56
Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein–Protein Interaction	55
Rational Design for Nitroreductase (NTR)-Responsive Proteolysis Targeting Chimeras (PROTACs) Selectively Targeting Tumor Tissues	55
Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2	55
Development of BromoTag: A “Bump-and-Hole”–PROTAC System to Induce Potent, Rapid, and Selective Degradation of Tagged Target Proteins	55
Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor	54
Reversible Lysine Specific Demethylase 1 (LSD1) Inhibitors: A Promising Wrench to Impair LSD1	53
Development of Cagrilintide, a Long-Acting Amylin Analogue	53
Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice	53
Glycogen Synthase Kinase 3β: A New Gold Rush in Anti-Alzheimer’s Disease Multitarget Drug Discovery?	53
Near-Infrared Fluorescent Probe Activated by Nitroreductase for In Vitro and In Vivo Hypoxic Tumor Detection	53
Mining Toxicity Information from Large Amounts of Toxicity Data	53
Linker-Dependent Folding Rationalizes PROTAC Cell Permeability	53
Strategies Targeting Protein Tyrosine Phosphatase SHP2 for Cancer Therapy	52
Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion	52
Pt(II)-NHC Complex Induces ROS-ERS-Related DAMP Balance to Harness Immunogenic Cell Death in Hepatocellular Carcinoma	52
Peptidomimetics: An Overview of Recent Medicinal Chemistry Efforts toward the Discovery of Novel Small Molecule Inhibitors	52
Prodrugs of a 1′-CN-4-Aza-7,9-dideazaadenosine C-Nucleoside Leading to the Discovery of Remdesivir (GS-5734) as a Potent Inhibitor of Respiratory Syncytial Virus with Efficacy in the African Gr	51
Current Landscape and Future Perspective of Oxazolidinone Scaffolds Containing Antibacterial Drugs	51
FLT3 Inhibitors in Acute Myeloid Leukemia: Challenges and Recent Developments in Overcoming Resistance	51
Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection	51
Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy	50
Cyclosporin Structure and Permeability: From A to Z and Beyond	50
β-Carboline as a Privileged Scaffold for Multitarget Strategies in Alzheimer’s Disease Therapy	50
Discovery of Novel Tacrine–Pyrimidone Hybrids as Potent Dual AChE/GSK-3 Inhibitors for the Treatment of Alzheimer’s Disease	50
Cytotoxic Effect of Silver Nanoparticles Synthesized by Green Methods in Cancer	50
Unique Carbazole-Oxadiazole Derivatives as New Potential Antibiotics for Combating Gram-Positive and -Negative Bacteria	49
Function, Therapeutic Potential, and Inhibition of Hsp70 Chaperones	48
Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L	48
Potent Inhibition of Nicotinamide N-Methyltransferase by Alkene-Linked Bisubstrate Mimics Bearing Electron Deficient Aromatics	48
N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum α-Glucosidases I and II with Antiviral Activity	48
Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development	48
Kinases as Potential Therapeutic Targets for Anti-coronaviral Therapy	48
Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2	48
Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity	47
DYRK1A Inhibitors as Potential Therapeutics for β-Cell Regeneration for Diabetes	47
Fragment-to-Lead Medicinal Chemistry Publications in 2019	47
Folate-Guided Protein Degradation by Immunomodulatory Imide Drug-Based Molecular Glues and Proteolysis Targeting Chimeras	47
What is in Our Kit? An Analysis of Building Blocks Used in Medicinal Chemistry Parallel Libraries	46
Tuberculosis: An Overview of the Immunogenic Response, Disease Progression, and Medicinal Chemistry Efforts in the Last Decade toward the Development of Potential Drugs for Extensively Drug-Resistant	46
Targeting the PI3K/AKT/mTOR Signaling Pathway in the Treatment of Human Diseases: Current Status, Trends, and Solutions	46
Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders	46
Discovery of Novel Pyrrolo[2,3-d]pyrimidine-based Derivatives as Potent JAK/HDAC Dual Inhibitors for the Treatment of Refractory Solid Tumors	46
Discovery of Pemigatinib: A Potent and Selective Fibroblast Growth Factor Receptor (FGFR) Inhibitor	45
Novel Approaches, Drug Candidates, and Targets in Pain Drug Discovery	45
Contemporary Medicinal Chemistry Strategies for the Discovery and Development of Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors	45
Bisphosphonates, Old Friends of Bones and New Trends in Clinics	45
Synthetic Opportunities and Challenges for Macrocyclic Kinase Inhibitors	44
Modular Design of Membrane-Active Antibiotics: From Macromolecular Antimicrobials to Small Scorpionlike Peptidomimetics	44
Discovery of the First-in-Class Agonist-Based SOS1 PROTACs Effective in Human Cancer Cells Harboring Various KRAS Mutations	44
Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate	44
Polo-like Kinase 1 Inhibitors in Human Cancer Therapy: Development and Therapeutic Potential	44
Discovery of First-in-Class Dual PARP and EZH2 Inhibitors for Triple-Negative Breast Cancer with Wild-Type BRCA	44
Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein–Protein Interaction	44
JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRASG12C for the Treatment of Solid Tumors	43
Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7	43
Discovery of Potent PROTACs Targeting EGFR Mutants through the Optimization of Covalent EGFR Ligands	43
Development of Novel Tetrahydroquinoline Inhibitors of NLRP3 Inflammasome for Potential Treatment of DSS-Induced Mouse Colitis	43

RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design	43
Changing for the Better: Discovery of the Highly Potent and Selective CDK9 Inhibitor VIP152 Suitable for Once Weekly Intravenous Dosing for the Treatment of Cancer	43
Development of Dual Inhibitors Targeting Epidermal Growth Factor Receptor in Cancer Therapy	43
Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease	43
Effects of Replacing Oxygenated Functionality with Fluorine on Lipophilicity	43
Bispecific Estrogen Receptor α Degraders Incorporating Novel Binders Identified Using DNA-Encoded Chemical Library Screening	43
Structure- and Similarity-Based Survey of Allosteric Kinase Inhibitors, Activators, and Closely Related Compounds	42
On the Utility of Chemical Strategies to Improve Peptide Gut Stability	42
Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042)	42
Is Target-Based Drug Discovery Efficient? Discovery and “Off-Target” Mechanisms of All Drugs	42
Conjugates of Porphyrinoid-Based Photosensitizers with Cytotoxic Drugs: Current Progress and Future Directions toward Selective Photodynamic Therapy	42
Immune Modulating Antibody–Drug Conjugate (IM-ADC) for Cancer Immunotherapy	41
A Second Near-Infrared Ru(II) Polypyridyl Complex for Synergistic Chemo-Photothermal Therapy	41
Small-Molecule Inhibitors of Reactive Oxygen Species Production	41
Optimization of Class I Histone Deacetylase PROTACs Reveals that HDAC1/2 Degradation is Critical to Induce Apoptosis and Cell Arrest in Cancer Cells	41
Copper(II) Complexes of Halogenated Quinoline Schiff Base Derivatives Enabled Cancer Therapy through Glutathione-Assisted Chemodynamic Therapy and Inhibition of Autophagy Flux	41
Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure–Activity Relationships, Antiviral Activity, and X-ray Structure Determination	41
Novel Antimicrobial 8-Hydroxyquinoline-Based Agents: Current Development, Structure–Activity Relationships, and Perspectives	41
Near-Infrared Fluorescent Probes as Imaging and Theranostic Modalities for Amyloid-Beta and Tau Aggregates in Alzheimer’s Disease	41
Emerging Therapeutic Potential of SIRT6 Modulators	41
Optimization of a Series of RIPK2 PROTACs	41
DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis	41
A Novel Mitragynine Analog with Low-Efficacy Mu Opioid Receptor Agonism Displays Antinociception with Attenuated Adverse Effects	41
Designing Soluble PROTACs: Strategies and Preliminary Guidelines	41
Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation	41
Glioblastoma: Current Status, Emerging Targets, and Recent Advances	40
Discovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease	40
The Development of Hsp90β-Selective Inhibitors to Overcome Detriments Associated with pan-Hsp90 Inhibition	40
Assessment of NR4A Ligands That Directly Bind and Modulate the Orphan Nuclear Receptor Nurr1	40
Recent Advances in the Development of Sigma Receptor Ligands as Cytotoxic Agents: A Medicinal Chemistry Perspective	40
Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography	40
Novel Broad-Spectrum Antimicrobial Peptide Derived from Anoplin and Its Activity on Bacterial Pneumonia in Mice	40
Melatonin- and Ferulic Acid-Based HDAC6 Selective Inhibitors Exhibit Pronounced Immunomodulatory Effects In Vitro and Neuroprotective Effects in a Pharmacological Alzheimer’s Disease Mouse Mode	40
Noninvasive NIR Imaging of Senescence via In Situ Labeling	40
Discovery and Characterization of Potent Dual P-Glycoprotein and CYP3A4 Inhibitors: Design, Synthesis, Cryo-EM Analysis, and Biological Evaluations	40
Synthesis and Evaluation of Liposomal Anti-GM3 Cancer Vaccine Candidates Covalently and Noncovalently Adjuvanted by αGalCer	40
Marine Natural Products: A Potential Source of Anti-hepatocellular Carcinoma Drugs	40
Progress and Challenges in Targeted Protein Degradation for Neurodegenerative Disease Therapy	39
Novel Carboline Fungal Histone Deacetylase (HDAC) Inhibitors for Combinational Treatment of Azole-Resistant Candidiasis	39
Furazans in Medicinal Chemistry	39
Development of Indoleamine 2,3-Dioxygenase 1 Inhibitors for Cancer Therapy and Beyond: A Recent Perspective	39
Computational Design of Potent D-Peptide Inhibitors of SARS-CoV-2	39
Evolution of Novartis’ Small Molecule Screening Deck Design	39
Small Molecule Approaches for Targeting the Polycomb Repressive Complex 2 (PRC2) in Cancer	39
Cancer Cell Resistance Against the Clinically Investigated Thiosemicarbazone COTI-2 Is Based on Formation of Intracellular Copper Complex Glutathione Adducts and ABCC1-Mediated Efflux	39
One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS	39
Explainable Machine Learning for Property Predictions in Compound Optimization	39
Lessons Learned from Past Cyclin-Dependent Kinase Drug Discovery Efforts	39
Physicochemical Property Determinants of Oral Absorption for PROTAC Protein Degraders	38
Ketoprofen and Loxoprofen Platinum(IV) Complexes Displaying Antimetastatic Activities by Inducing DNA Damage, Inflammation Suppression, and Enhanced Immune Response	38
Insights into SARS-CoV-2’s Mutations for Evading Human Antibodies: Sacrifice and Survival	38
Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis	38
The Mycobactin Biosynthesis Pathway: A Prospective Therapeutic Target in the Battle against Tuberculosis	37
Successful and Unsuccessful Prediction of Human Hepatic Clearance for Lead Optimization	37
Syntheses, Biological Evaluations, and Mechanistic Studies of Benzo[c][1,2,5]oxadiazole Derivatives as Potent PD-L1 Inhibitors with In Vivo Antitumor Activity	37
Targeting Regulated Cell Death with Pharmacological Small Molecules: An Update on Autophagy-Dependent Cell Death, Ferroptosis, and Necroptosis in Cancer	37
Geminal Diheteroatomic Motifs: Some Applications of Acetals, Ketals, and Their Sulfur and Nitrogen Homologues in Medicinal Chemistry and Drug Design	37
Discovery of 4-Arylindolines Containing a Thiazole Moiety as Potential Antitumor Agents Inhibiting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction	37
Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents	37
Novel CRBN-Recruiting Proteolysis-Targeting Chimeras as Degraders of Stimulator of Interferon Genes with In Vivo Anti-Inflammatory Efficacy	37
Ispinesib as an Effective Warhead for the Design of Autophagosome-Tethering Chimeras: Discovery of Potent Degraders of Nicotinamide Phosphoribosyltransferase (NAMPT)	37
Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3Kα	37
Self-assembled NIR-II Fluorophores with Ultralong Blood Circulation for Cancer Imaging and Image-guided Surgery	37
Discovery of STAT3 and Histone Deacetylase (HDAC) Dual-Pathway Inhibitors for the Treatment of Solid Cancer	37
Targeting Nuclear Receptors in Neurodegeneration and Neuroinflammation	37
GPR120/FFAR4 Pharmacology: Focus on Agonists in Type 2 Diabetes Mellitus Drug Discovery	37
Kinase Inhibitors as Underexplored Antiviral Agents	37
Development of Alectinib-Based PROTACs as Novel Potent Degraders of Anaplastic Lymphoma Kinase (ALK)	37
Structure–Activity Relationships of Triple-Action Platinum(IV) Prodrugs with Albumin-Binding Properties and Immunomodulating Ligands	37
Synthetic Lethality through the Lens of Medicinal Chemistry	36
COUPY Coumarins as Novel Mitochondria-Targeted Photodynamic Therapy Anticancer Agents	36
Efficient Synthesis and Bioevaluation of Novel Dual Tubulin/Histone Deacetylase 3 Inhibitors as Potential Anticancer Agents	36
Disentangling the Structure–Activity Relationships of Naphthalene Diimides as Anticancer G-Quadruplex-Targeting Drugs	36
A Photoactivated Sorafenib-Ruthenium(II) Prodrug for Resistant Hepatocellular Carcinoma Therapy through Ferroptosis and Purine Metabolism Disruption	36
Design, Synthesis, and Evaluation of o-(Biphenyl-3-ylmethoxy)nitrophenyl Derivatives as PD-1/PD-L1 Inhibitors with Potent Anticancer Efficacy In Vivo	36
Piezo-Type Mechanosensitive Ion Channel Component 1 (Piezo1): A Promising Therapeutic Target and Its Modulators	36
Carbon-11: Radiochemistry and Target-Based PET Molecular Imaging Applications in Oncology, Cardiology, and Neurology	36
Are Pt(IV) Prodrugs That Release Combretastatin A4 True Multi-action Prodrugs?	36
Dissecting Histone Deacetylase 3 in Multiple Disease Conditions: Selective Inhibition as a Promising Therapeutic Strategy	36
Nanotechnology-Abetted Astaxanthin Formulations in Multimodel Therapeutic and Biomedical Applications	36
Synthetic Approaches to the New Drugs Approved during 2019	35
Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2	35
Emerging Approaches to Overcome Acquired Drug Resistance Obstacles to Osimertinib in Non-Small-Cell Lung Cancer	35
Design, Synthesis, and Biological Evaluation of Linear Aliphatic Amine-Linked Triaryl Derivatives as Potent Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Inte	35
2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies	35
Activity of Mitragyna speciosa (“Kratom”) Alkaloids at Serotonin Receptors	35
Overcoming Preclinical Safety Obstacles to Discover (S)-N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin	35
Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors	35
Platinum(IV)-Estramustine Multiaction Prodrugs Are Effective Antiproliferative Agents against Prostate Cancer Cells	35
Design, Synthesis, and Pharmacological Evaluation of Biaryl-Containing PD-1/PD-L1 Interaction Inhibitors Bearing a Unique Difluoromethyleneoxy Linkage	35
METTL3 from Target Validation to the First Small-Molecule Inhibitors: A Medicinal Chemistry Journey	35
Poly(hydrophobic amino acid)-Based Self-Adjuvanting Nanoparticles for Group A Streptococcus Vaccine Delivery	34
Discovery of Novel and Highly Potent Resorcinol Dibenzyl Ether-Based PD-1/PD-L1 Inhibitors with Improved Drug-like and Pharmacokinetic Properties for Cancer Treatment	34
Positron Emission Tomography Imaging of the Endocannabinoid System: Opportunities and Challenges in Radiotracer Development	34
Design, Synthesis, and Evaluation of Potent, Selective, and Bioavailable AKT Kinase Degraders	34