The design and development of covalent protein-protein interaction inhibitors for cancer treatment

Covalent Inhibitors of Protein–Protein Interactions Targeting Lysine, Tyrosine, or Histidine Residues

(2019) Luca Gambini et al.   JOURNAL OF MEDICINAL CHEMISTRY

Designer covalent heterobivalent inhibitors prevent IgE-dependent responses to peanut allergen

(2019) Peter E. Deak et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Reactive-cysteine profiling for drug discovery

(2019) Aaron J Maurais et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Modulating protein–protein interaction networks in protein homeostasis

(2019) Mengqi Zhong et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein–Protein Interaction

(2019) Angelo Aguilar et al.   JOURNAL OF MEDICINAL CHEMISTRY

Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics

(2019) Haoyu S. Yu et al.   Journal of Chemical Information and Modeling

Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase through Target-Focused Modelling

(2019) Imane Bjij et al.   MOLECULES

Small-molecule inhibitor targeting the Hsp90-Cdc37 protein-protein interaction in colorectal cancer

(2019) Lei Wang et al.   Science Advances

Mutant p53 drives cancer chemotherapy resistance due to loss of function on activating transcription of PUMA

(2019) Yuan Huang et al.   CELL CYCLE

TMEFF2 inhibits pancreatic cancer cells proliferation, migration, and invasion by suppressing phosphorylation of the MAPK signaling pathway

(2019) Hongchao Han et al.   OncoTargets and Therapy

High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery

(2018) Gregory B. Craven et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective Inhibition of Lysine-Specific Demethylase 5A (KDM5A) Using a Rhodium(III) Complex for Triple-Negative Breast Cancer Therapy

(2018) Guan-Jun Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

EWS/FLI Confers Tumor Cell Synthetic Lethality to CDK12 Inhibition in Ewing Sarcoma

(2018) Amanda Balboni Iniguez et al.   CANCER CELL

Structure-based design of targeted covalent inhibitors

(2018) Richard Lonsdale et al.   CHEMICAL SOCIETY REVIEWS

Comparative Evaluation of Covalent Docking Tools

(2018) Andrea Scarpino et al.   Journal of Chemical Information and Modeling

Discovering cellular protein-protein interactions: Technological strategies and opportunities

(2018) Kevin Titeca et al.   MASS SPECTROMETRY REVIEWS

Protein-protein interactions as antibiotic targets: A medicinal chemistry perspective

(2018) Peter J. Cossar et al.   MEDICINAL RESEARCH REVIEWS

Targeting tumour microenvironment by tyrosine kinase inhibitor

(2018) Hor-Yue Tan et al.   Molecular Cancer

Oridonin is a covalent NLRP3 inhibitor with strong anti-inflammasome activity

(2018) Hongbin He et al.   Nature Communications

Overexpression of S100A13 protein is associated with tumor angiogenesis and poor survival in patients with early-stage non-small cell lung cancer

(2018) Shuncheng Miao et al.   Thoracic Cancer

Simultaneous Determination and Pharmacokinetics Study of Six Triterpenes in Rat Plasma by UHPLC-MS/MS after Oral Administration of Sanguisorba officinalis L. Extract

(2018) Chengcui Wu et al.   MOLECULES

Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme

(2018) Zongyang Lv et al.   Nature Communications

Screening-based approaches to identify small molecules that inhibit protein–protein interactions

(2017) Sehee Choi et al.   Expert Opinion on Drug Discovery

Functional Analysis of Human Hub Proteins and Their Interactors Involved in the Intrinsic Disorder-Enriched Interactions

(2017) Gang Hu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Expanding the Armory: Predicting and Tuning Covalent Warhead Reactivity

(2017) Richard Lonsdale et al.   Journal of Chemical Information and Modeling

Determining Cysteines Available for Covalent Inhibition Across the Human Kinome

(2017) Zheng Zhao et al.   JOURNAL OF MEDICINAL CHEMISTRY

Targeted Covalent Inhibition of Grb2–Sos1 Interaction through Proximity-Induced Conjugation in Breast Cancer Cells

(2017) Yongsheng Yu et al.   MOLECULAR PHARMACEUTICS

Inhibition of the Ras/Raf interaction and repression of renal cancer xenografts in vivo by an enantiomeric iridium(iii) metal-based compound

(2017) Li-Juan Liu et al.   Chemical Science

Are there physicochemical differences between allosteric and competitive ligands?

(2017) Richard D. Smith et al.   PLoS Computational Biology

Targeted Covalent Inhibitors for Drug Design

(2016) Thomas A. Baillie   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cysteinome: The first comprehensive database for proteins with targetable cysteine and their covalent inhibitors

(2016) Sijin Wu et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Structure-based screening and optimization of cytisine derivatives as inhibitors of the menin–MLL interaction

(2016) Hai-Jing Zhong et al.   CHEMICAL COMMUNICATIONS

Targeting protein–protein interactions, a wide open field for drug design

(2016) May Bakail et al.   COMPTES RENDUS CHIMIE

The amyloid hypothesis of Alzheimer's disease at 25 years

(2016) Dennis J Selkoe et al.   EMBO Molecular Medicine

Proteome-wide covalent ligand discovery in native biological systems

(2016) Keriann M. Backus et al.   NATURE

Covalent targeting of remote cysteine residues to develop CDK12 and CDK13 inhibitors

(2016) Tinghu Zhang et al.   Nature Chemical Biology

Inhibition of Mcl-1 through covalent modification of a noncatalytic lysine side chain

(2016) Gizem Akçay et al.   Nature Chemical Biology

Small molecules, big targets: drug discovery faces the protein–protein interaction challenge

(2016) Duncan E. Scott et al.   NATURE REVIEWS DRUG DISCOVERY

Synthesis of 1,4-amino alcohols by Grignard reagent addition to THF and N-tosyliminobenzyliodinane

(2016) Ciputra Tejo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Target identification with quantitative activity based protein profiling (ABPP)

(2016) Xiao Chen et al.   PROTEOMICS

2P2Idb v2: update of a structural database dedicated to orthosteric modulation of protein–protein interactions

(2016) Marie-Jeanne Basse et al.   Database-The Journal of Biological Databases and Curation

Structure-based design and synthesis of covalent-reversible inhibitors to overcome drug resistance in EGFR

(2015) Debjit Basu et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Label-Free Bottom-Up Proteomic Workflow for Simultaneously Assessing the Target Specificity of Covalent Drug Candidates and Their Off-Target Reactivity to Selected Proteins

(2015) Yanou Yang et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Designing Irreversible Inhibitors-Worth the Effort?

(2015) Concepción González-Bello   ChemMedChem

How do oncoprotein mutations rewire protein–protein interaction networks?

(2015) Emily H Bowler et al.   Expert Review of Proteomics

Identification of Protein–Ligand Binding Sites by the Level-Set Variational Implicit-Solvent Approach

(2015) Zuojun Guo et al.   Journal of Chemical Theory and Computation

Specificity and Inhibitory Mechanism of Andrographolide and Its Analogues as Antiasthma Agents on NF-κB p50

(2015) Van Sang Nguyen et al.   JOURNAL OF NATURAL PRODUCTS

Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls

(2015) Hezekiel Kumalo et al.   MOLECULES

An iridium(iii)-based irreversible protein–protein interaction inhibitor of BRD4 as a potent anticancer agent

(2015) Hai-Jing Zhong et al.   Chemical Science

A Novel Small Molecule, LLL12, Inhibits STAT3 Phosphorylation and Activities and Exhibits Potent Growth-Suppressive Activity in Human Cancer Cells

(2015) Li Lin et al.   NEOPLASIA

Selective Inhibition of Mutant Ras Protein through Covalent Binding

(2014) Joachim Rudolph et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Activity-Based Profiling of Proteases

(2014) Laura E. Sanman et al.   Annual Review of Biochemistry

Small-Molecule Inhibitors of Protein-Protein Interactions: Progressing toward the Reality

(2014) Michelle R. Arkin et al.   CHEMISTRY & BIOLOGY

Computational thermodynamics, computational kinetics, and materials design

(2014) Xiao-Gang Lu et al.   CHINESE SCIENCE BULLETIN

Targeting protein-protein interactions in hematologic malignancies: still a challenge or a great opportunity for future therapies?

(2014) Tomasz Cierpicki et al.   IMMUNOLOGICAL REVIEWS

Structure-Based Virtual Screening Approach for Discovery of Covalently Bound Ligands

(2014) Dora Toledo Warshaviak et al.   Journal of Chemical Information and Modeling

Fragment-Based Lead Discovery and Design

(2014) Diane Joseph-McCarthy et al.   Journal of Chemical Information and Modeling

High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein–Protein Interaction

(2014) Shihan He et al.   JOURNAL OF MEDICINAL CHEMISTRY

Investigating the Proteome Reactivity and Selectivity of Aryl Halides

(2014) D. Alexander Shannon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Covalent docking of large libraries for the discovery of chemical probes

(2014) Nir London et al.   Nature Chemical Biology

A road map to evaluate the proteome-wide selectivity of covalent kinase inhibitors

(2014) Bryan R Lanning et al.   Nature Chemical Biology

Discovery of a Natural Product-Like iNOS Inhibitor by Molecular Docking with Potential Neuroprotective Effects In Vivo

(2014) Hai-Jing Zhong et al.   PLoS One

Identification of a natural product-like STAT3 dimerization inhibitor by structure-based virtual screening

(2014) L-J Liu et al.   Cell Death & Disease

Targeting Protein-Protein Interaction by Small Molecules

(2013) Lingyan Jin et al.   Annual Review of Pharmacology and Toxicology

What is the total number of protein molecules per cell volume? A call to rethink some published values

(2013) Ron Milo   BIOESSAYS

Integrated Approach to Structure-Based Enzymatic Drug Design: Molecular Modeling, Spectroscopy, and Experimental Bioactivity

(2013) Bahareh Honarparvar et al.   CHEMICAL REVIEWS

iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein–protein interactions

(2013) Céline M. Labbé et al.   DRUG DISCOVERY TODAY

Keap Calm, and Carry on Covalently

(2013) Anthony J. Wilson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Electrophilic Fragment-Based Design of Reversible Covalent Kinase Inhibitors

(2013) Rand M. Miller et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions

(2013) Jonathan M. Ostrem et al.   NATURE

Control of apoptosis by the BCL-2 protein family: implications for physiology and therapy

(2013) Peter E. Czabotar et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Covalent EGFR inhibitor analysis reveals importance of reversible interactions to potency and mechanisms of drug resistance

(2013) P. A. Schwartz et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Targeting protein–protein interactions as an anticancer strategy

(2013) Andrei A. Ivanov et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Discovery of a Mutant-Selective Covalent Inhibitor of EGFR that Overcomes T790M-Mediated Resistance in NSCLC

(2013) A. O. Walter et al.   Cancer Discovery

TIMBAL v2: update of a database holding small molecules modulating protein–protein interactions

(2013) Alicia P. Higueruelo et al.   Database-The Journal of Biological Databases and Curation

Protein-protein interaction networks: probing disease mechanisms using model systems

(2013) Uros Kuzmanov et al.   Genome Medicine

Plucking the high hanging fruit: A systematic approach for targeting protein–protein interactions

(2012) Monika Raj et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Chemical Genomics Identifies Small-Molecule MCL1 Repressors and BCL-xL as a Predictor of MCL1 Dependency

(2012) Guo Wei et al.   CANCER CELL

How Chemoproteomics Can Enable Drug Discovery and Development

(2012) Raymond E. Moellering et al.   CHEMISTRY & BIOLOGY

Activity-based protein profiling: an enabling technology in chemical biology research

(2012) Nan Li et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Therapeutic development in targeting protein–protein interactions with synthetic topological mimetics

(2012) Lun K Tsou et al.   CURRENT OPINION IN PHARMACOLOGY

CovalentDock: Automated covalent docking with parameterized covalent linkage energy estimation and molecular geometry constraints

(2012) Xuchang Ouyang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Irreversible Protein Kinase Inhibitors: Balancing the Benefits and Risks

(2012) Tjeerd Barf et al.   JOURNAL OF MEDICINAL CHEMISTRY

Analyzing Protein–Protein Interaction Networks

(2012) Gavin C. K. W. Koh et al.   JOURNAL OF PROTEOME RESEARCH

Iminoboronates: A New Strategy for Reversible Protein Modification

(2012) Pedro M. S. D. Cal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

2P2Idb: a structural database dedicated to orthosteric modulation of protein–protein interactions

(2012) Marie Jeanne Basse et al.   NUCLEIC ACIDS RESEARCH

Identification of Cys255 in HIF-1α as a novel site for development of covalent inhibitors of HIF-1α/ARNT PasB domain protein-protein interaction

(2012) Rosa Cardoso et al.   PROTEIN SCIENCE

Biophysical and computational fragment-based approaches to targeting protein–protein interactions: applications in structure-guided drug discovery

(2012) Anja Winter et al.   QUARTERLY REVIEWS OF BIOPHYSICS

Structural biology and drug discovery for protein–protein interactions

(2012) Harry Jubb et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Chapter 4: Protein Interactions and Disease

(2012) Mileidy W. Gonzalez et al.   PLoS Computational Biology

Hallmarks of Cancer: The Next Generation

(2011) Douglas Hanahan et al.   CELL

Chemical and structural lessons from recent successes in protein–protein interaction inhibition (2P2I)

(2011) Xavier Morelli et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Multidrug resistance proteins (MRPs/ABCCs) in cancer chemotherapy and genetic diseases

(2011) Zhe-Sheng Chen et al.   FEBS Journal

A Potent and Orally Active Antagonist (SM-406/AT-406) of Multiple Inhibitor of Apoptosis Proteins (IAPs) in Clinical Development for Cancer Treatment

(2011) Qian Cai et al.   JOURNAL OF MEDICINAL CHEMISTRY

Epidermal Growth Factor Receptor Irreversible Inhibitors: Chemical Exploration of the Cysteine-Trap Portion

(2011) C. Carmi et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

How were new medicines discovered?

(2011) David C. Swinney et al.   NATURE REVIEWS DRUG DISCOVERY

The resurgence of covalent drugs

(2011) Juswinder Singh et al.   NATURE REVIEWS DRUG DISCOVERY

Creating Diverse Target-Binding Surfaces on FKBP12: Synthesis and Evaluation of a Rapamycin Analogue Library

(2011) Xianghong Wu et al.   ACS Combinatorial Science

Apatinib (YN968D1) Reverses Multidrug Resistance by Inhibiting the Efflux Function of Multiple ATP-Binding Cassette Transporters

(2010) Y.-j. Mi et al.   CANCER RESEARCH

Fluorescent and colorimetric probes for detection of thiols

(2010) Xiaoqiang Chen et al.   CHEMICAL SOCIETY REVIEWS

Protein-Protein Interactions and Cancer: Targeting the Central Dogma

(2010) Amanda L. Garner et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Discovery of Modulators of Protein-Protein Interactions: Current Approaches and Limitations

(2010) Lidio M.C. Meireles et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Virtual screening with AutoDock: theory and practice

(2010) Sandro Cosconati et al.   Expert Opinion on Drug Discovery

Strategies for discovering and derisking covalent, irreversible enzyme inhibitors

(2010) Douglas S Johnson et al.   Future Medicinal Chemistry

Quantitative reactivity profiling predicts functional cysteines in proteomes

(2010) Eranthie Weerapana et al.   NATURE

Chemoselective small molecules that covalently modify one lysine in a non-enzyme protein in plasma

(2010) Sungwook Choi et al.   Nature Chemical Biology

How to improve R&D productivity: the pharmaceutical industry's grand challenge

(2010) Steven M. Paul et al.   NATURE REVIEWS DRUG DISCOVERY

Atomic Analysis of Protein-Protein Interfaces with Known Inhibitors: The 2P2I Database

(2010) Raphaël Bourgeas et al.   PLoS One

Can self-inhibitory peptides be derived from the interfaces of globular protein-protein interactions?

(2010) Nir London et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Role for protein–protein interaction databases in human genetics

(2009) Kristine A Pattin et al.   Expert Review of Proteomics

Human Cancer Protein-Protein Interaction Network: A Structural Perspective

(2009) Gozde Kar et al.   PLoS Computational Biology

Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins

(2008) Adam J. T. Smith et al.   JOURNAL OF MEDICINAL CHEMISTRY