Journal of Medicinal Chemistry

Article	Citations
Thirty Years of HDAC Inhibitors: 2020 Insight and Hindsight	382
Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19	356
COVID-19: Drug Targets and Potential Treatments	334
U.S. FDA Approved Drugs from 2015–June 2020: A Perspective	321
Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer	297
Amide Bond Bioisosteres: Strategies, Synthesis, and Successes	263
Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19	251
Spirocyclic Scaffolds in Medicinal Chemistry	242
Identification of MRTX1133, a Noncovalent, Potent, and Selective KRASG12D Inhibitor	242
Sulfoximines as Rising Stars in Modern Drug Discovery? Current Status and Perspective on an Emerging Functional Group in Medicinal Chemistry	185
Bioisosteres of the Phenyl Ring: Recent Strategic Applications in Lead Optimization and Drug Design	178
Transfer Learning for Drug Discovery	177
Inhibitors of SARS-CoV-2 Entry: Current and Future Opportunities	168
Opportunities for Tapping into Three-Dimensional Chemical Space through a Quaternary Carbon	166
The Most Common Functional Groups in Bioactive Molecules and How Their Popularity Has Evolved over Time	164
On the Promise of Photopharmacology Using Photoswitches: A Medicinal Chemist’s Perspective	147
Molecular Glues for Targeted Protein Degradation: From Serendipity to Rational Discovery	146
A Decade of FDA-Approved Drugs (2010–2019): Trends and Future Directions	139
Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities	135
Recent Advances of SHP2 Inhibitors in Cancer Therapy: Current Development and Clinical Application	126
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis	117
Decision Making in Structure-Based Drug Discovery: Visual Inspection of Docking Results	114
Small Molecule Kinase Inhibitor Drugs (1995–2021): Medical Indication, Pharmacology, and Synthesis	114
Peptide–Drug Conjugates with Different Linkers for Cancer Therapy	112
Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer	111

4D-Printed Dynamic Materials in Biomedical Applications: Chemistry, Challenges, and Their Future Perspectives in the Clinical Sector	107
Learning Molecular Representations for Medicinal Chemistry	106
Rings in Clinical Trials and Drugs: Present and Future	105
Reactive Oxygen Species (ROS)-Responsive Prodrugs, Probes, and Theranostic Prodrugs: Applications in the ROS-Related Diseases	105
Design of SARS-CoV-2 PLpro Inhibitors for COVID-19 Antiviral Therapy Leveraging Binding Cooperativity	101
Improvement in ADMET Prediction with Multitask Deep Featurization	100
Incorporating Selenium into Heterocycles and Natural Products─From Chemical Properties to Pharmacological Activities	100
Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors	97
Dual-Target Inhibitors Based on HDACs: Novel Antitumor Agents for Cancer Therapy	95
Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy	89
Discovery of SHP2-D26 as a First, Potent, and Effective PROTAC Degrader of SHP2 Protein	89
Conjugated Photosensitizers for Imaging and PDT in Cancer Research	87
Rational Design and Synthesis of Novel Dual PROTACs for Simultaneous Degradation of EGFR and PARP	85
Unraveling the Role of Linker Design in Proteolysis Targeting Chimeras	83
Discovery of N-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain	83
Phosphine Oxides from a Medicinal Chemist’s Perspective: Physicochemical and in Vitro Parameters Relevant for Drug Discovery	81
Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 1: Exploration of Antibody Linker, Payload Loading, and Payload Molecular Properties	80
InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions	80
The Essential Medicinal Chemistry of Cannabidiol (CBD)	79
Machine Learning on DNA-Encoded Libraries: A New Paradigm for Hit Finding	79
Discovery of ARD-2585 as an Exceptionally Potent and Orally Active PROTAC Degrader of Androgen Receptor for the Treatment of Advanced Prostate Cancer	79
Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer	78
Design of Development Candidate eFT226, a First in Class Inhibitor of Eukaryotic Initiation Factor 4A RNA Helicase	78
Recent Update on Development of Small-Molecule STAT3 Inhibitors for Cancer Therapy: From Phosphorylation Inhibition to Protein Degradation	77
Critical Analysis of Drug Product Recalls due to Nitrosamine Impurities	77
Remdesivir Metabolite GS-441524 Effectively Inhibits SARS-CoV-2 Infection in Mouse Models	75
Movement to the Clinic of Soluble Epoxide Hydrolase Inhibitor EC5026 as an Analgesic for Neuropathic Pain and for Use as a Nonaddictive Opioid Alternative	75
Targeting Bromodomain and Extraterminal Proteins for Drug Discovery: From Current Progress to Technological Development	74
3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents	73
Discovery of Aficamten (CK-274), a Next-Generation Cardiac Myosin Inhibitor for the Treatment of Hypertrophic Cardiomyopathy	73
Generative Models for De Novo Drug Design	72
Design and Synthesis of EZH2-Based PROTACs to Degrade the PRC2 Complex for Targeting the Noncatalytic Activity of EZH2	72
Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CLpro)	72
Structural Basis of AZD9291 Selectivity for EGFR T790M	71
Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1)	71
Strategies toward Discovery of Potent and Orally Bioavailable Proteolysis Targeting Chimera Degraders of Androgen Receptor for the Treatment of Prostate Cancer	71
GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer	70
Recent Progress on Tubulin Inhibitors with Dual Targeting Capabilities for Cancer Therapy	70
A Review of Progress in Histone Deacetylase 6 Inhibitors Research: Structural Specificity and Functional Diversity	70
Strategies for Structural Modification of Small Molecules to Improve Blood–Brain Barrier Penetration: A Recent Perspective	69
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	69
Modulation of the Innate Immune Response by Targeting Toll-like Receptors: A Perspective on Their Agonists and Antagonists	69
Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action	69
Understanding the Metabolism of Proteolysis Targeting Chimeras (PROTACs): The Next Step toward Pharmaceutical Applications	69
On the Frustration to Predict Binding Affinities from Protein–Ligand Structures with Deep Neural Networks	67
Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry	66
Recent Update on Targeting c-MYC G-Quadruplexes by Small Molecules for Anticancer Therapeutics	66
CC-90009: A Cereblon E3 Ligase Modulating Drug That Promotes Selective Degradation of GSPT1 for the Treatment of Acute Myeloid Leukemia	66
Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases	65
Strategies for Targeting the NLRP3 Inflammasome in the Clinical and Preclinical Space	65

Advances in the Design of Genuine Human Tyrosinase Inhibitors for Targeting Melanogenesis and Related Pigmentations	65
Has Ferrocene Really Delivered Its Role in Accentuating the Bioactivity of Organic Scaffolds?	64
Why All the Fuss about Oxidative Phosphorylation (OXPHOS)?	64
Nonclassical Phenyl Bioisosteres as Effective Replacements in a Series of Novel Open-Source Antimalarials	64
Progress and Challenges in Targeting the SARS-CoV-2 Papain-like Protease	64
Perspectives on SARS-CoV-2 Main Protease Inhibitors	64
Membrane-Targeting Neolignan-Antimicrobial Peptide Mimic Conjugates to Combat Methicillin-Resistant Staphylococcus aureus (MRSA) Infections	63
Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer’s Disease	63
Colchicine Alkaloids and Synthetic Analogues: Current Progress and Perspectives	63
Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4	63
Small-Molecule Drug Discovery in Triple Negative Breast Cancer: Current Situation and Future Directions	61
Facts, Patterns, and Principles in Drug Discovery: Appraising the Rule of 5 with Measured Physicochemical Data	61
Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir	61
Amide-to-Ester Substitution as a Strategy for Optimizing PROTAC Permeability and Cellular Activity	60
GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins	60
Tuberculosis Drug Discovery: Challenges and New Horizons	59
A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors	58
N-Trifluoromethyl Amines and Azoles: An Underexplored Functional Group in the Medicinal Chemist’s Toolbox	58
Discovery of First-in-Class Protein Arginine Methyltransferase 5 (PRMT5) Degraders	58
Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors	58
Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies	57
Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP-Deleted Cancers	57
1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors	57
Targeting Lysosomal Degradation Pathways: New Strategies and Techniques for Drug Discovery	57
Rational Multitargeted Drug Design Strategy from the Perspective of a Medicinal Chemist	57
The Medicinal Chemistry of Caffeine	57
Integrating the Impact of Lipophilicity on Potency and Pharmacokinetic Parameters Enables the Use of Diverse Chemical Space during Small Molecule Drug Optimization	56
Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist	56
Discovery of Novel Benzimidazole and Indazole Analogues as Tubulin Polymerization Inhibitors with Potent Anticancer Activities	56
Identification of Unique Quinazolone Thiazoles as Novel Structural Scaffolds for Potential Gram-Negative Bacterial Conquerors	56
The Ascension of Targeted Covalent Inhibitors	56
Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation	55
Tranylcypromine Based Lysine-Specific Demethylase 1 Inhibitor: Summary and Perspective	55
Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure–Activity Relationship, and X-ray Structural Studies	54
Advances in the Development of Phosphodiesterase-4 Inhibitors	54
Phenols in Pharmaceuticals: Analysis of a Recurring Motif	54
Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer	54
Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B	54
Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation	54
Drug Induced Liver Injury (DILI). Mechanisms and Medicinal Chemistry Avoidance/Mitigation Strategies	54
Global PROTAC Toolbox for Degrading BCR–ABL Overcomes Drug-Resistant Mutants and Adverse Effects	53
Progress in the Development of Small Molecular Inhibitors of Focal Adhesion Kinase (FAK)	53
Recent Developments in the Biology and Medicinal Chemistry of CDK9 Inhibitors: An Update	53
Small-Molecule Inhibitors Directly Targeting KRAS as Anticancer Therapeutics	53
Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer	52
The Alpha Keto Amide Moiety as a Privileged Motif in Medicinal Chemistry: Current Insights and Emerging Opportunities	52
Fragment Linking Strategies for Structure-Based Drug Design	52
Platinum-Based Combination Therapy: Molecular Rationale, Current Clinical Uses, and Future Perspectives	52
Discovery of AB680: A Potent and Selective Inhibitor of CD73	52
Selective Estrogen Receptor Degraders (SERDs): A Promising Strategy for Estrogen Receptor Positive Endocrine-Resistant Breast Cancer	52
Identification of Potent, Selective, and Orally Bioavailable Small-Molecule GSPT1/2 Degraders from a Focused Library of Cereblon Modulators	52
Myeloid Differentiation Primary Response Protein 88 (MyD88): The Central Hub of TLR/IL-1R Signaling	52
Fragment-to-Lead Medicinal Chemistry Publications in 2020	52
Structure-Based Bioisosterism Yields HIV-1 NNRTIs with Improved Drug-Resistance Profiles and Favorable Pharmacokinetic Properties	51
Development of Membrane-Active Honokiol/Magnolol Amphiphiles as Potent Antibacterial Agents against Methicillin-Resistant Staphylococcus aureus (MRSA)	51
A Novel Triphenylphosphonium Carrier to Target Mitochondria without Uncoupling Oxidative Phosphorylation	50
Natural Berberine-derived Azolyl Ethanols as New Structural Antibacterial Agents against Drug-Resistant Escherichia coli	50
Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design	50
Discovery of Novel Resorcinol Dibenzyl Ethers Targeting the Programmed Cell Death-1/Programmed Cell Death–Ligand 1 Interaction as Potential Anticancer Agents	50
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	50
Design, Synthesis, and Evaluation of VHL-Based EZH2 Degraders to Enhance Therapeutic Activity against Lymphoma	50
Analysis of Benzenoid Substitution Patterns in Small Molecule Active Pharmaceutical Ingredients	50
Design, Synthesis, and Biological Evaluation of Membrane-Active Bakuchiol Derivatives as Effective Broad-Spectrum Antibacterial Agents	50
Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof	49
Discovery of Soluble Epoxide Hydrolase Inhibitors from Chemical Synthesis and Natural Products	49
Discovery and Biological Evaluation of a Novel Highly Potent Selective Butyrylcholinsterase Inhibitor	49
Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2	49
Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer	49
Small Molecules Selectively Targeting Sigma-1 Receptor for the Treatment of Neurological Diseases	49
Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure–Activity Relationship Insights and Evolution Perspectives	49
Lung Protection by Cathepsin C Inhibition: A New Hope for COVID-19 and ARDS?	48
Discovery of IPN60090, a Clinical Stage Selective Glutaminase-1 (GLS-1) Inhibitor with Excellent Pharmacokinetic and Physicochemical Properties	48
Targeting Metabolism of Extracellular Nucleotides via Inhibition of Ectonucleotidases CD73 and CD39	48
Small-Molecule Kinase Inhibitors for the Treatment of Nononcologic Diseases	48
Small-Molecule Fms-like Tyrosine Kinase 3 Inhibitors: An Attractive and Efficient Method for the Treatment of Acute Myeloid Leukemia	47
Overview of AKR1C3: Inhibitor Achievements and Disease Insights	47
Monomeric Targeted Protein Degraders	47
High-Throughput Screening for the Discovery of Enzyme Inhibitors	47
Reversible Lysine Specific Demethylase 1 (LSD1) Inhibitors: A Promising Wrench to Impair LSD1	47
Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies	47

Molecular Engineering of Insulin Icodec, the First Acylated Insulin Analog for Once-Weekly Administration in Humans	47
Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders	47
Adenosine A2A Receptor Antagonists for Cancer Immunotherapy	47
Integrative Modeling of PROTAC-Mediated Ternary Complexes	47
Discovery of MK-1454: A Potent Cyclic Dinucleotide Stimulator of Interferon Genes Agonist for the Treatment of Cancer	47
Discovery of Cysteine-targeting Covalent Protein Kinase Inhibitors	47
Optimization of Acetazolamide-Based Scaffold as Potent Inhibitors of Vancomycin-Resistant Enterococcus	46
Di-bromo-Based Small-Molecule Inhibitors of the PD-1/PD-L1 Immune Checkpoint	46
Kinases as Potential Therapeutic Targets for Anti-coronaviral Therapy	46
Glycogen Synthase Kinase 3β: A New Gold Rush in Anti-Alzheimer’s Disease Multitarget Drug Discovery?	46
Discovery of BMS-986235/LAR-1219: A Potent Formyl Peptide Receptor 2 (FPR2) Selective Agonist for the Prevention of Heart Failure	45
Near-Infrared Fluorescent Probe Activated by Nitroreductase for In Vitro and In Vivo Hypoxic Tumor Detection	45
Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice	45
Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L	45
Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases	45
Rational Design for Nitroreductase (NTR)-Responsive Proteolysis Targeting Chimeras (PROTACs) Selectively Targeting Tumor Tissues	44
FLT3 Inhibitors in Acute Myeloid Leukemia: Challenges and Recent Developments in Overcoming Resistance	44
The Progress and Promise of RNA Medicine─An Arsenal of Targeted Treatments	44
Cytotoxic Effect of Silver Nanoparticles Synthesized by Green Methods in Cancer	44
Discovery of Novel Fungal Lanosterol 14α-Demethylase (CYP51)/Histone Deacetylase Dual Inhibitors to Treat Azole-Resistant Candidiasis	44
Novel Biphenyl Pyridines as Potent Small-Molecule Inhibitors Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction	44
Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine β-Lactamases	44
β-Carboline as a Privileged Scaffold for Multitarget Strategies in Alzheimer’s Disease Therapy	43
Potent Inhibition of Nicotinamide N-Methyltransferase by Alkene-Linked Bisubstrate Mimics Bearing Electron Deficient Aromatics	43
Discovery of SK-575 as a Highly Potent and Efficacious Proteolysis-Targeting Chimera Degrader of PARP1 for Treating Cancers	43
Ocular Disease Therapeutics: Design and Delivery of Drugs for Diseases of the Eye	43
Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose	43
Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue–Atom Distance Likelihood Potential and Graph Transformer	43
Pyrrolo[2′,3′:3,4]cyclohepta[1,2-d][1,2]oxazoles, a New Class of Antimitotic Agents Active against Multiple Malignant Cell Types	43
Cyclosporin Structure and Permeability: From A to Z and Beyond	43
Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein–Protein Interaction	43
Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor	43
Matrix Metalloproteinases as New Targets in Alzheimer’s Disease: Opportunities and Challenges	42
In Vitro and in Vivo Evaluation of Membrane-Active Flavone Amphiphiles: Semisynthetic Kaempferol-Derived Antimicrobials against Drug-Resistant Gram-Positive Bacteria	42
Berberine Directly Targets the NEK7 Protein to Block the NEK7–NLRP3 Interaction and Exert Anti-inflammatory Activity	42
A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor	42
Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2	42
Discovery of Novel PDEδ Degraders for the Treatment of KRAS Mutant Colorectal Cancer	42
Strategies Targeting Protein Tyrosine Phosphatase SHP2 for Cancer Therapy	42
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities	42
Bisphosphonates, Old Friends of Bones and New Trends in Clinics	41
Development of Cagrilintide, a Long-Acting Amylin Analogue	41
Peptidomimetics: An Overview of Recent Medicinal Chemistry Efforts toward the Discovery of Novel Small Molecule Inhibitors	41
Unique Carbazole-Oxadiazole Derivatives as New Potential Antibiotics for Combating Gram-Positive and -Negative Bacteria	41
Function, Therapeutic Potential, and Inhibition of Hsp70 Chaperones	41
Fragment-to-Lead Medicinal Chemistry Publications in 2019	41
Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity	41
Hydrogen-Bond Donors in Drug Design	41
Mn(II)-Based MRI Contrast Agent Candidate for Vascular Imaging	41
Current Landscape and Future Perspective of Oxazolidinone Scaffolds Containing Antibacterial Drugs	40
The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor	40
Macrocycles in Drug Discovery─Learning from the Past for the Future	40
Discovery of Novel Pyrrolo[2,3-d]pyrimidine-based Derivatives as Potent JAK/HDAC Dual Inhibitors for the Treatment of Refractory Solid Tumors	40
Artificial Intelligence in Drug Discovery: Into the Great Wide Open	40
N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum α-Glucosidases I and II with Antiviral Activity	40
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	40
Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development	39
Cyclic Derivative of Host-Defense Peptide IDR-1018 Improves Proteolytic Stability, Suppresses Inflammation, and Enhances In Vivo Activity	39
Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy	39
Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion	39
Synthetic Opportunities and Challenges for Macrocyclic Kinase Inhibitors	39
Pyridine-Embedded Phenothiazinium Dyes as Lysosome-Targeted Photosensitizers for Highly Efficient Photodynamic Antitumor Therapy	39
A Fast and Clean BTK Inhibitor	39
Development of Bis-cyclic Imidazolidine-4-one Derivatives as Potent Antibacterial Agents	39
Chinese Therapeutic Strategy for Fighting COVID-19 and Potential Small-Molecule Inhibitors against Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)	39
Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection	39
Design and Synthesis of a Highly Selective and In Vivo-Capable Inhibitor of the Second Bromodomain of the Bromodomain and Extra Terminal Domain Family of Proteins	39
Development of BromoTag: A “Bump-and-Hole”–PROTAC System to Induce Potent, Rapid, and Selective Degradation of Tagged Target Proteins	38
Rational Avoidance of Protease Cleavage Sites and Symmetrical End-Tagging Significantly Enhances the Stability and Therapeutic Potential of Antimicrobial Peptides	38
Discovery of First-in-Class Dual PARP and EZH2 Inhibitors for Triple-Negative Breast Cancer with Wild-Type BRCA	38
Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV	38
Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders	38
Degradation versus Inhibition: Development of Proteolysis-Targeting Chimeras for Overcoming Statin-Induced Compensatory Upregulation of 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase	38
Insights into SARS-CoV-2’s Mutations for Evading Human Antibodies: Sacrifice and Survival	38
Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders	38
Structure-Based Design of a Bromodomain and Extraterminal Domain (BET) Inhibitor Selective for the N-Terminal Bromodomains That Retains an Anti-inflammatory and Antiproliferative Phenotype	38
Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042)	38
Emerging Substrate Proteins of Kelch-like ECH Associated Protein 1 (Keap1) and Potential Challenges for the Development of Small-Molecule Inhibitors of the Keap1-Nuclear Factor Erythroid 2-Related Fac	38
Recent Progress in the Discovery of Antifungal Agents Targeting the Cell Wall	37
Mining Toxicity Information from Large Amounts of Toxicity Data	37
Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity	37
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	37
Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease	37
DYRK1A Inhibitors as Potential Therapeutics for β-Cell Regeneration for Diabetes	37
Bispecific Estrogen Receptor α Degraders Incorporating Novel Binders Identified Using DNA-Encoded Chemical Library Screening	37
Emerging Therapeutic Potential of SIRT6 Modulators	37
Development of Highly Potent Carbazole Amphiphiles as Membrane-Targeting Antimicrobials for Treating Gram-Positive Bacterial Infections	37
Novel Approaches, Drug Candidates, and Targets in Pain Drug Discovery	37
Discovery of Novel Tacrine–Pyrimidone Hybrids as Potent Dual AChE/GSK-3 Inhibitors for the Treatment of Alzheimer’s Disease	37
Novel Broad-Spectrum Antimicrobial Peptide Derived from Anoplin and Its Activity on Bacterial Pneumonia in Mice	37
Development of Indoleamine 2,3-Dioxygenase 1 Inhibitors for Cancer Therapy and Beyond: A Recent Perspective	37
Design of Hydrazide-Bearing HDACIs Based on Panobinostat and Their p53 and FLT3-ITD Dependency in Antileukemia Activity	36
Damage Incorporated: Discovery of the Potent, Highly Selective, Orally Available ATR Inhibitor BAY 1895344 with Favorable Pharmacokinetic Properties and Promising Efficacy in Monotherapy and in Combin	36
Fragment-based Differential Targeting of PPI Stabilizer Interfaces	36
Halo and Pseudohalo Gold(I)–NHC Complexes Derived from 4,5-Diarylimidazoles with Excellent In Vitro and In Vivo Anticancer Activities Against HCC	36