Journal of Medicinal Chemistry

Article	Citations
Thirty Years of HDAC Inhibitors: 2020 Insight and Hindsight	394
Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19	363
COVID-19: Drug Targets and Potential Treatments	337
U.S. FDA Approved Drugs from 2015–June 2020: A Perspective	334
Amide Bond Bioisosteres: Strategies, Synthesis, and Successes	274
Identification of MRTX1133, a Noncovalent, Potent, and Selective KRASG12D Inhibitor	268
Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19	258
Spirocyclic Scaffolds in Medicinal Chemistry	256
Bioisosteres of the Phenyl Ring: Recent Strategic Applications in Lead Optimization and Drug Design	191
Sulfoximines as Rising Stars in Modern Drug Discovery? Current Status and Perspective on an Emerging Functional Group in Medicinal Chemistry	185
Transfer Learning for Drug Discovery	180
Opportunities for Tapping into Three-Dimensional Chemical Space through a Quaternary Carbon	172
Inhibitors of SARS-CoV-2 Entry: Current and Future Opportunities	168
The Most Common Functional Groups in Bioactive Molecules and How Their Popularity Has Evolved over Time	168
Molecular Glues for Targeted Protein Degradation: From Serendipity to Rational Discovery	153
On the Promise of Photopharmacology Using Photoswitches: A Medicinal Chemist’s Perspective	150
A Decade of FDA-Approved Drugs (2010–2019): Trends and Future Directions	143
Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities	137
Recent Advances of SHP2 Inhibitors in Cancer Therapy: Current Development and Clinical Application	129
Small Molecule Kinase Inhibitor Drugs (1995–2021): Medical Indication, Pharmacology, and Synthesis	124
Decision Making in Structure-Based Drug Discovery: Visual Inspection of Docking Results	118
Peptide–Drug Conjugates with Different Linkers for Cancer Therapy	117
Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer	112
Rings in Clinical Trials and Drugs: Present and Future	111
Learning Molecular Representations for Medicinal Chemistry	108

Incorporating Selenium into Heterocycles and Natural Products─From Chemical Properties to Pharmacological Activities	106
Reactive Oxygen Species (ROS)-Responsive Prodrugs, Probes, and Theranostic Prodrugs: Applications in the ROS-Related Diseases	106
Design of SARS-CoV-2 PLpro Inhibitors for COVID-19 Antiviral Therapy Leveraging Binding Cooperativity	104
Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors	100
Rational Design and Synthesis of Novel Dual PROTACs for Simultaneous Degradation of EGFR and PARP	91
Conjugated Photosensitizers for Imaging and PDT in Cancer Research	90
Unraveling the Role of Linker Design in Proteolysis Targeting Chimeras	90
Discovery of SHP2-D26 as a First, Potent, and Effective PROTAC Degrader of SHP2 Protein	90
Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy	89
Phosphine Oxides from a Medicinal Chemist’s Perspective: Physicochemical and in Vitro Parameters Relevant for Drug Discovery	87
Discovery of ARD-2585 as an Exceptionally Potent and Orally Active PROTAC Degrader of Androgen Receptor for the Treatment of Advanced Prostate Cancer	85
Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer	84
InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions	83
The Essential Medicinal Chemistry of Cannabidiol (CBD)	83
Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 1: Exploration of Antibody Linker, Payload Loading, and Payload Molecular Properties	81
Recent Update on Development of Small-Molecule STAT3 Inhibitors for Cancer Therapy: From Phosphorylation Inhibition to Protein Degradation	80
Design of Development Candidate eFT226, a First in Class Inhibitor of Eukaryotic Initiation Factor 4A RNA Helicase	80
Machine Learning on DNA-Encoded Libraries: A New Paradigm for Hit Finding	80
Remdesivir Metabolite GS-441524 Effectively Inhibits SARS-CoV-2 Infection in Mouse Models	79
Critical Analysis of Drug Product Recalls due to Nitrosamine Impurities	78
3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents	78
Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CLpro)	76
Movement to the Clinic of Soluble Epoxide Hydrolase Inhibitor EC5026 as an Analgesic for Neuropathic Pain and for Use as a Nonaddictive Opioid Alternative	76
Targeting Bromodomain and Extraterminal Proteins for Drug Discovery: From Current Progress to Technological Development	76
Strategies toward Discovery of Potent and Orally Bioavailable Proteolysis Targeting Chimera Degraders of Androgen Receptor for the Treatment of Prostate Cancer	75
Strategies for Structural Modification of Small Molecules to Improve Blood–Brain Barrier Penetration: A Recent Perspective	74
Discovery of Aficamten (CK-274), a Next-Generation Cardiac Myosin Inhibitor for the Treatment of Hypertrophic Cardiomyopathy	74
Generative Models for De Novo Drug Design	74
Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1)	72
Design and Synthesis of EZH2-Based PROTACs to Degrade the PRC2 Complex for Targeting the Noncatalytic Activity of EZH2	72
Recent Progress on Tubulin Inhibitors with Dual Targeting Capabilities for Cancer Therapy	71
GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer	71
Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action	71
Structural Basis of AZD9291 Selectivity for EGFR T790M	71
On the Frustration to Predict Binding Affinities from Protein–Ligand Structures with Deep Neural Networks	71
A Review of Progress in Histone Deacetylase 6 Inhibitors Research: Structural Specificity and Functional Diversity	70
Understanding the Metabolism of Proteolysis Targeting Chimeras (PROTACs): The Next Step toward Pharmaceutical Applications	70
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
Membrane-Targeting Neolignan-Antimicrobial Peptide Mimic Conjugates to Combat Methicillin-Resistant Staphylococcus aureus (MRSA) Infections	68
Advances in the Design of Genuine Human Tyrosinase Inhibitors for Targeting Melanogenesis and Related Pigmentations	68
Colchicine Alkaloids and Synthetic Analogues: Current Progress and Perspectives	67
Perspectives on SARS-CoV-2 Main Protease Inhibitors	67
Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry	67
Progress and Challenges in Targeting the SARS-CoV-2 Papain-like Protease	67
Recent Update on Targeting c-MYC G-Quadruplexes by Small Molecules for Anticancer Therapeutics	67
Strategies for Targeting the NLRP3 Inflammasome in the Clinical and Preclinical Space	67
Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer’s Disease	67
CC-90009: A Cereblon E3 Ligase Modulating Drug That Promotes Selective Degradation of GSPT1 for the Treatment of Acute Myeloid Leukemia	67
Has Ferrocene Really Delivered Its Role in Accentuating the Bioactivity of Organic Scaffolds?	66

Why All the Fuss about Oxidative Phosphorylation (OXPHOS)?	66
Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases	65
Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir	65
Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4	65
Nonclassical Phenyl Bioisosteres as Effective Replacements in a Series of Novel Open-Source Antimalarials	65
Amide-to-Ester Substitution as a Strategy for Optimizing PROTAC Permeability and Cellular Activity	64
A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors	63
Integrating the Impact of Lipophilicity on Potency and Pharmacokinetic Parameters Enables the Use of Diverse Chemical Space during Small Molecule Drug Optimization	62
GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins	61
Small-Molecule Drug Discovery in Triple Negative Breast Cancer: Current Situation and Future Directions	61
Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors	60
Rational Multitargeted Drug Design Strategy from the Perspective of a Medicinal Chemist	60
Tuberculosis Drug Discovery: Challenges and New Horizons	60
The Medicinal Chemistry of Caffeine	59
N-Trifluoromethyl Amines and Azoles: An Underexplored Functional Group in the Medicinal Chemist’s Toolbox	59
Discovery of First-in-Class Protein Arginine Methyltransferase 5 (PRMT5) Degraders	59
The Ascension of Targeted Covalent Inhibitors	59
Identification of Unique Quinazolone Thiazoles as Novel Structural Scaffolds for Potential Gram-Negative Bacterial Conquerors	58
Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation	58
Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP-Deleted Cancers	58
Phenols in Pharmaceuticals: Analysis of a Recurring Motif	58
Discovery of Novel Benzimidazole and Indazole Analogues as Tubulin Polymerization Inhibitors with Potent Anticancer Activities	58
Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies	58
Drug Induced Liver Injury (DILI). Mechanisms and Medicinal Chemistry Avoidance/Mitigation Strategies	58
Tranylcypromine Based Lysine-Specific Demethylase 1 Inhibitor: Summary and Perspective	57
1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors	57
Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer	57
Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist	57
Targeting Lysosomal Degradation Pathways: New Strategies and Techniques for Drug Discovery	57
Progress in the Development of Small Molecular Inhibitors of Focal Adhesion Kinase (FAK)	56
The Alpha Keto Amide Moiety as a Privileged Motif in Medicinal Chemistry: Current Insights and Emerging Opportunities	56
Small-Molecule Inhibitors Directly Targeting KRAS as Anticancer Therapeutics	55
Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure–Activity Relationship, and X-ray Structural Studies	55
Fragment-to-Lead Medicinal Chemistry Publications in 2020	55
Recent Developments in the Biology and Medicinal Chemistry of CDK9 Inhibitors: An Update	55
Myeloid Differentiation Primary Response Protein 88 (MyD88): The Central Hub of TLR/IL-1R Signaling	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
Platinum-Based Combination Therapy: Molecular Rationale, Current Clinical Uses, and Future Perspectives	54
Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design	54
Identification of Potent, Selective, and Orally Bioavailable Small-Molecule GSPT1/2 Degraders from a Focused Library of Cereblon Modulators	54
Fragment Linking Strategies for Structure-Based Drug Design	54
Discovery and Biological Evaluation of a Novel Highly Potent Selective Butyrylcholinsterase Inhibitor	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	53
Discovery of AB680: A Potent and Selective Inhibitor of CD73	53
Development of Membrane-Active Honokiol/Magnolol Amphiphiles as Potent Antibacterial Agents against Methicillin-Resistant Staphylococcus aureus (MRSA)	53
Discovery of Novel Resorcinol Dibenzyl Ethers Targeting the Programmed Cell Death-1/Programmed Cell Death–Ligand 1 Interaction as Potential Anticancer Agents	53
Selective Estrogen Receptor Degraders (SERDs): A Promising Strategy for Estrogen Receptor Positive Endocrine-Resistant Breast Cancer	53
A Novel Triphenylphosphonium Carrier to Target Mitochondria without Uncoupling Oxidative Phosphorylation	53
Global PROTAC Toolbox for Degrading BCR–ABL Overcomes Drug-Resistant Mutants and Adverse Effects	53
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	53
Design, Synthesis, and Biological Evaluation of Membrane-Active Bakuchiol Derivatives as Effective Broad-Spectrum Antibacterial Agents	52
Analysis of Benzenoid Substitution Patterns in Small Molecule Active Pharmaceutical Ingredients	52
Molecular Engineering of Insulin Icodec, the First Acylated Insulin Analog for Once-Weekly Administration in Humans	52
Discovery of Soluble Epoxide Hydrolase Inhibitors from Chemical Synthesis and Natural Products	52
Small-Molecule Kinase Inhibitors for the Treatment of Nononcologic Diseases	52
Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure–Activity Relationship Insights and Evolution Perspectives	51
Natural Berberine-derived Azolyl Ethanols as New Structural Antibacterial Agents against Drug-Resistant Escherichia coli	51
Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer	51
Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof	50
Design, Synthesis, and Evaluation of VHL-Based EZH2 Degraders to Enhance Therapeutic Activity against Lymphoma	50
Small Molecules Selectively Targeting Sigma-1 Receptor for the Treatment of Neurological Diseases	50
Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies	50
Novel Biphenyl Pyridines as Potent Small-Molecule Inhibitors Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction	49
Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2	49
Discovery of MK-1454: A Potent Cyclic Dinucleotide Stimulator of Interferon Genes Agonist for the Treatment of Cancer	49
Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue–Atom Distance Likelihood Potential and Graph Transformer	49
High-Throughput Screening for the Discovery of Enzyme Inhibitors	49
Di-bromo-Based Small-Molecule Inhibitors of the PD-1/PD-L1 Immune Checkpoint	48
Near-Infrared Fluorescent Probe Activated by Nitroreductase for In Vitro and In Vivo Hypoxic Tumor Detection	48
Discovery of Cysteine-targeting Covalent Protein Kinase Inhibitors	48
Reversible Lysine Specific Demethylase 1 (LSD1) Inhibitors: A Promising Wrench to Impair LSD1	48
Integrative Modeling of PROTAC-Mediated Ternary Complexes	48
Overview of AKR1C3: Inhibitor Achievements and Disease Insights	48
Glycogen Synthase Kinase 3β: A New Gold Rush in Anti-Alzheimer’s Disease Multitarget Drug Discovery?	48
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
Optimization of Acetazolamide-Based Scaffold as Potent Inhibitors of Vancomycin-Resistant Enterococcus	47
Small-Molecule Fms-like Tyrosine Kinase 3 Inhibitors: An Attractive and Efficient Method for the Treatment of Acute Myeloid Leukemia	47
Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice	47

Adenosine A2A Receptor Antagonists for Cancer Immunotherapy	47
β-Carboline as a Privileged Scaffold for Multitarget Strategies in Alzheimer’s Disease Therapy	46
Hydrogen-Bond Donors in Drug Design	46
Kinases as Potential Therapeutic Targets for Anti-coronaviral Therapy	46
Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases	46
Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L	45
Discovery of SK-575 as a Highly Potent and Efficacious Proteolysis-Targeting Chimera Degrader of PARP1 for Treating Cancers	45
Development of Cagrilintide, a Long-Acting Amylin Analogue	45
Rational Design for Nitroreductase (NTR)-Responsive Proteolysis Targeting Chimeras (PROTACs) Selectively Targeting Tumor Tissues	45
Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine β-Lactamases	45
Matrix Metalloproteinases as New Targets in Alzheimer’s Disease: Opportunities and Challenges	45
Discovery of BMS-986235/LAR-1219: A Potent Formyl Peptide Receptor 2 (FPR2) Selective Agonist for the Prevention of Heart Failure	45
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	45
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
In Vitro and in Vivo Evaluation of Membrane-Active Flavone Amphiphiles: Semisynthetic Kaempferol-Derived Antimicrobials against Drug-Resistant Gram-Positive Bacteria	44
Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection	44
FLT3 Inhibitors in Acute Myeloid Leukemia: Challenges and Recent Developments in Overcoming Resistance	44
Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose	44
Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein–Protein Interaction	44
Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor	44
Berberine Directly Targets the NEK7 Protein to Block the NEK7–NLRP3 Interaction and Exert Anti-inflammatory Activity	44
Current Landscape and Future Perspective of Oxazolidinone Scaffolds Containing Antibacterial Drugs	44
Potent Inhibition of Nicotinamide N-Methyltransferase by Alkene-Linked Bisubstrate Mimics Bearing Electron Deficient Aromatics	44
Macrocycles in Drug Discovery─Learning from the Past for the Future	44
Fragment-to-Lead Medicinal Chemistry Publications in 2019	44
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
Ocular Disease Therapeutics: Design and Delivery of Drugs for Diseases of the Eye	43
Cyclosporin Structure and Permeability: From A to Z and Beyond	43
Unique Carbazole-Oxadiazole Derivatives as New Potential Antibiotics for Combating Gram-Positive and -Negative Bacteria	42
Discovery of Novel Tacrine–Pyrimidone Hybrids as Potent Dual AChE/GSK-3 Inhibitors for the Treatment of Alzheimer’s Disease	42
Mn(II)-Based MRI Contrast Agent Candidate for Vascular Imaging	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
Peptidomimetics: An Overview of Recent Medicinal Chemistry Efforts toward the Discovery of Novel Small Molecule Inhibitors	42
Function, Therapeutic Potential, and Inhibition of Hsp70 Chaperones	42
A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor	42
Development of Bis-cyclic Imidazolidine-4-one Derivatives as Potent Antibacterial Agents	42
Bisphosphonates, Old Friends of Bones and New Trends in Clinics	41
Development of BromoTag: A “Bump-and-Hole”–PROTAC System to Induce Potent, Rapid, and Selective Degradation of Tagged Target Proteins	41
Discovery of Covalent Inhibitors Targeting the Transcriptional Enhanced Associate Domain Central Pocket	41
“Magic Chloro”: Profound Effects of the Chlorine Atom in Drug Discovery	41
Rational Avoidance of Protease Cleavage Sites and Symmetrical End-Tagging Significantly Enhances the Stability and Therapeutic Potential of Antimicrobial Peptides	41
N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum α-Glucosidases I and II with Antiviral Activity	41
Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion	41
Novel Approaches, Drug Candidates, and Targets in Pain Drug Discovery	40
Artificial Intelligence in Drug Discovery: Into the Great Wide Open	40
Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders	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
Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development	40
Cyclic Derivative of Host-Defense Peptide IDR-1018 Improves Proteolytic Stability, Suppresses Inflammation, and Enhances In Vivo Activity	40
A Fast and Clean BTK Inhibitor	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
Synthetic Opportunities and Challenges for Macrocyclic Kinase Inhibitors	40
DYRK1A Inhibitors as Potential Therapeutics for β-Cell Regeneration for Diabetes	40
Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy	40
Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042)	39
Chinese Therapeutic Strategy for Fighting COVID-19 and Potential Small-Molecule Inhibitors against Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)	39
Pt(II)-NHC Complex Induces ROS-ERS-Related DAMP Balance to Harness Immunogenic Cell Death in Hepatocellular Carcinoma	39
Polo-like Kinase 1 Inhibitors in Human Cancer Therapy: Development and Therapeutic Potential	39
Development of Highly Potent Carbazole Amphiphiles as Membrane-Targeting Antimicrobials for Treating Gram-Positive Bacterial Infections	39
Mining Toxicity Information from Large Amounts of Toxicity Data	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 Novel Tetrahydroquinoline Inhibitors of NLRP3 Inflammasome for Potential Treatment of DSS-Induced Mouse Colitis	39
Discovery of First-in-Class Dual PARP and EZH2 Inhibitors for Triple-Negative Breast Cancer with Wild-Type BRCA	39
Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease	38
Effects of Replacing Oxygenated Functionality with Fluorine on Lipophilicity	38
Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV	38
Halo and Pseudohalo Gold(I)–NHC Complexes Derived from 4,5-Diarylimidazoles with Excellent In Vitro and In Vivo Anticancer Activities Against HCC	38
Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity	38
Recent Progress in the Discovery of Antifungal Agents Targeting the Cell Wall	38
Discovery of Pemigatinib: A Potent and Selective Fibroblast Growth Factor Receptor (FGFR) Inhibitor	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
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
Bispecific Estrogen Receptor α Degraders Incorporating Novel Binders Identified Using DNA-Encoded Chemical Library Screening	38
Insights into SARS-CoV-2’s Mutations for Evading Human Antibodies: Sacrifice and Survival	38
Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma	38
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	38
Discovery of the First-in-Class Agonist-Based SOS1 PROTACs Effective in Human Cancer Cells Harboring Various KRAS Mutations	38
RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design	37
Folate-Guided Protein Degradation by Immunomodulatory Imide Drug-Based Molecular Glues and Proteolysis Targeting Chimeras	37
Bifunctional Naphtho[2,3-d][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Pro	37
Discovery of Potent PROTACs Targeting EGFR Mutants through the Optimization of Covalent EGFR Ligands	37
Anti-Giardia Drug Discovery: Current Status and Gut Feelings	37
Modular Design of Membrane-Active Antibiotics: From Macromolecular Antimicrobials to Small Scorpionlike Peptidomimetics	37
Contemporary Medicinal Chemistry Strategies for the Discovery and Development of Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors	37
Emerging Therapeutic Potential of SIRT6 Modulators	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
Discovery of a Monoiodo Aza-BODIPY Near-Infrared Photosensitizer: in vitro and in vivo Evaluation for Photodynamic Therapy	37
Small Molecule Approaches for Targeting the Polycomb Repressive Complex 2 (PRC2) in Cancer	37
Novel Broad-Spectrum Antimicrobial Peptide Derived from Anoplin and Its Activity on Bacterial Pneumonia in Mice	37
Fragment-based Differential Targeting of PPI Stabilizer Interfaces	37
Development of Indoleamine 2,3-Dioxygenase 1 Inhibitors for Cancer Therapy and Beyond: A Recent Perspective	37
Immune Modulating Antibody–Drug Conjugate (IM-ADC) for Cancer Immunotherapy	37