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Discovery of Small-Molecule Inhibitors of Bcl-2 through Structure-Based Computer Screening

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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The role of the Bcl-2 family of apoptosis regulatory proteins in the immune system
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NMRPipe: A multidimensional spectral processing system based on UNIX pipes
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High-level production of uniformly 15N-and 13C-enriched fusion proteins in Escherichia coli
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A geometric approach to macromolecule-ligand interactions
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MOLMOL: A program for display and analysis of macromolecular structures
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Modelling mutations and homologous proteins
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BCL-2 antisense therapy in patients with non-Hodgkin lymphoma
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The role of the bcl-2/ced-9 gene family in cancer and general implications of defects in cell death control for tumourigenesis and resistance to chemotherapy
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Regulation of apoptosis by BH3 domains in a cell-free system
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Bcl-2 Family Proteins: Strategies for Overcoming Chemoresistance in Cancer
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Apoptosis in Hormone-Responsive Malignancies
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Novel anticancer drug discovery
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National Cancer Institute Drug Information System 3D Database
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The importance of not saturating water in protein NMR. Application to sensitivity enhancement and NOE measurements
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An efficient and cost-effective isotope labeling protocol for proteins expressed in shape Escherichia coli
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Identification of small-molecule inhibitors of interaction between the BH3 domain and Bcl-xL
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Antimycin A mimics a cell-death-inducing Bcl-2 homology domain 3
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BH1 and BH2 domains of Bcl-2 are required for inhibition of apoptosis and heterodimerization with Bax
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X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death
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Structure of mitochondrial creatine kinase
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bcl-2 antisense therapy chemosensitizes human melanoma in SCID mice
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Solution structure of the antiapoptotic protein bcl-2
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Crystal Structure of Rat Bcl-xL
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Bak BH3 Peptides Antagonize Bcl-xL Function and Induce Apoptosis through Cytochrome c-independent Activation of Caspases
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Induction of Apoptosis in Small-Cell Lung Cancer Cells by an Antisense Oligodeoxynucleotide Targeting the Bcl-2 Coding Sequence
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Characterization of p53 and p21 Functional Interactions in Glioma Cells en Route to Apoptosis
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Gapped BLAST and PSI-BLAST: a new generation of protein database search programs
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BCL-2 family members and the mitochondria in apoptosis
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Structure of Bcl-x L -Bak Peptide Complex: Recognition Between Regulators of Apoptosis
inferredcites →https://doi.org/10.1126/science.275.5302.986openalex-snapshot
A Protein-Counting Mechanism for Telomere Length Regulation in Yeast
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The Bcl-2 Protein Family: Arbiters of Cell Survival
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Phase I Clinical and Pharmacokinetic Study of Bcl-2 Antisense Oligonucleotide Therapy in Patients With Non-Hodgkin’s Lymphoma

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Design and Application of an α‐Helix‐Mimetic Scaffold Based on an Oligoamide‐Foldamer Strategy: Antagonism of the Bak BH3/Bcl‐xL Complex
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Strategies for Targeting Protein–Protein Interactions With Synthetic Agents
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Design and Synthesis of a Gossypol Derivative with Improved Antitumor Activities
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Structure and Function of Benzoylurea‐Derived α‐Helix Mimetics Targeting the Bcl‐xL/Bak Binding Interface
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Small‐Molecule and Peptide Inhibitors of the Pro‐Survival Protein Mcl‐1
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Lewis Acid Mediated Aminobenzannulation Reactions of δ‐Ketoalkynes: Synthesis of 1‐Aminocarbazoles and 9‐Aminopyrido[1,2‐ a ]indoles
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Role of phospholipase D2 in anti‐apoptotic signaling through increased expressions of Bcl‐2 and Bcl‐xL
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Q‐Dock: Low‐resolution flexible ligand docking with pocket‐specific threading restraints
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Apoptotic Pathways in Tumor Progression and Therapy
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Rational Design of Therapeutics Targeting the BCL-2 Family: Are Some Cancer Cells Primed for Death but Waiting for a Final Push?
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Virtual Ligand Screening Against Comparative Protein Structure Models
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QSAR/QSPR Modeling in the Design of Drug Candidates with Balanced Pharmacodynamic and Pharmacokinetic Properties
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Virtual screening by molecular docking
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Identification of unique binding site and molecular docking studies for structurally diverse Bcl-xL inhibitors
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Combined pharmacophore models as virtual screening protocol against BRD4(1) inhibitor
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Small inhibitor of Bcl-2, HA14-1, selectively enhanced the apoptotic effect of cisplatin by modulating Bcl-2 family members in MDA-MB-231 breast cancer cells
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Role of Bcl-2 family proteins and caspases in the regulation of apoptosis
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Comparative Modeling of Drug Target Proteins
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Small-Molecule Antagonists of Bcl-2 Family Proteins
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Comparative Modeling of Drug Target Proteins☆
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Protein-protein interaction inhibitors in cancer
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Eight-membered Rings with Two Heteroatoms 1,2
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A SURVEY OF NOVEL MOLECULAR TARGETS FOR ANTICANCER DRUG DISCOVERY
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Prostate
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Structural biology of the Bcl-2 family of proteins
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Robust lanthanide-based assays for the detection of anti-apoptotic Bcl-2-family protein antagonists
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Structure-based discovery of a new class of Bcl-xL antagonists
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Development of selective inhibitors for anti-apoptotic Bcl-2 proteins from BHI-1
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Construction of a three-dimensional pharmacophore for Bcl-2 inhibitors by flexible docking and the multiple copy simultaneous search method
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Structure-based design of rhodanine-based acylsulfonamide derivatives as antagonists of the anti-apoptotic Bcl-2 protein
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Terephthalamide derivatives as mimetics of the helical region of Bak peptide target Bcl-xL protein
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Isosteric exchange of the acylsulfonamide moiety in Abbott’s Bcl-XL protein interaction antagonist
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Biochemical and pharmacological profiling of the pro-survival protein Bcl-xL
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sHA 14-1, a stable and ROS-free antagonist against anti-apoptotic Bcl-2 proteins, bypasses drug resistances and synergizes cancer therapies in human leukemia cell
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Emerging classes of protein–protein interaction inhibitors and new tools for their development
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Structure-based virtual screening of chemical libraries for drug discovery
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Small-Molecule Bcl2 BH4 Antagonist for Lung Cancer Therapy
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The BH3 mimetic ABT-737 targets selective Bcl-2 proteins and efficiently induces apoptosis via Bak/Bax if Mcl-1 is neutralized
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The Process of Structure-Based Drug Design
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A Competitive Stapled Peptide Screen Identifies a Selective Small Molecule that Overcomes MCL-1-Dependent Leukemia Cell Survival
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Design of a grid service-based platform for in silico protein–ligand screenings
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A novel approach toward the multigram synthesis of a novel Bcl2-specific inhibitor, and evaluation of its biological activity
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Structure–activity relationships of Bak derived peptides: Affinity and specificity modulations by amino acid replacement
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Chiral gossypol derivatives: Evaluation of their anticancer activity and molecular modeling
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N′-((2-(6-bromo-2-oxo-2H-chromen-3-yl)-1H-indol-3-yl)methylene)benzohydrazide as a probable Bcl-2/Bcl-xL inhibitor with apoptotic and anti-metastatic potential
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Adaptor protein interactions: modulators of amyloid precursor protein metabolism and Alzheimer's disease risk?
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Low and high molecular weight poly( l ‐lysine)s/poly( l ‐lysine)–DNA complexes initiate mitochondrial‐mediated apoptosis differently
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Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
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Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W
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A support vector machines approach for virtual screening of active compounds of single and multiple mechanisms from large libraries at an improved hit-rate and enrichment factor
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Synthesis of carbazoles and dibenzofurans via cross-coupling of o-iodoanilines and o-iodophenols with silylaryl triflates and subsequent Pd-catalyzed cyclization
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InCl3-assisted one-pot synthesis of 1-aminocarbazoles
inferred← citeshttps://doi.org/10.1016/j.tips.2012.03.006openalex-snapshot
Structural biology and drug discovery for protein–protein interactions
inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.07.007openalex-snapshot
Hierarchical virtual screening approaches in small molecule drug discovery
inferred← citeshttps://doi.org/10.1016/s0006-2952(02)01148-6openalex-snapshot
Prospects for targeting the Bcl-2 family of proteins to develop novel cytotoxic drugs
inferred← citeshttps://doi.org/10.1016/s0022-2836(02)00777-5openalex-snapshot
A Model Binding Site for Testing Scoring Functions in Molecular Docking
inferred← citeshttps://doi.org/10.1016/s0065-230x(02)85007-2openalex-snapshot
Mitochondria and apoptosis: New therapeutic targets
inferred← citeshttps://doi.org/10.1016/s0065-7743(02)37013-1openalex-snapshot
Chapter 12. Intracellular signaling targets for cancer chemosensitization
inferred← citeshttps://doi.org/10.1016/s0065-7743(04)39020-2openalex-snapshot
Comparative Protein Structure Modeling and its Applications to Drug Discovery
inferred← citeshttps://doi.org/10.1016/s0065-7743(05)40016-0openalex-snapshot
Inhibitors of Anti-apoptotic Proteins for Cancer Therapy
inferred← citeshttps://doi.org/10.1016/s0161-5890(02)00252-3openalex-snapshot
The Bcl-2 protein family: sensors and checkpoints for life-or-death decisions
inferred← citeshttps://doi.org/10.1016/s1074-5521(02)00247-8openalex-snapshot
The Chemical Biology of Apoptosis
inferred← citeshttps://doi.org/10.1016/s1359-6446(00)01506-3openalex-snapshot
Monitor: molecules and profiles
inferred← citeshttps://doi.org/10.1016/s1359-6446(02)02198-0openalex-snapshot
Monitor: molecules and profiles
inferred← citeshttps://doi.org/10.1016/s1359-6446(02)02233-xopenalex-snapshot
Structure-based screening and design in drug discovery
inferred← citeshttps://doi.org/10.1016/s1359-6446(02)02563-1openalex-snapshot
Anticancer drugs of tomorrow: apoptotic pathways as targets for drug design
inferred← citeshttps://doi.org/10.1016/s1359-6446(04)03358-6openalex-snapshot
Monitor – chemistry
inferred← citeshttps://doi.org/10.1016/s1367-5931(02)00339-3openalex-snapshot
Lead discovery using molecular docking
inferred← citeshttps://doi.org/10.1016/s1367-5931(02)00352-6openalex-snapshot
A view to a kill: ligands for Bcl-2 family proteins
inferred← citeshttps://doi.org/10.1016/s1574-1400(06)02011-1openalex-snapshot
Chapter 11 Recent Advances in Design of Small-Molecule Ligands to Target Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1016/s1875-5364(15)30063-7openalex-snapshot
Isochamaejasmin induces apoptosis in leukemia cells through inhibiting Bcl-2 family proteins
inferred← citeshttps://doi.org/10.1017/cbo9780511663543.002openalex-snapshot
Apoptosis in health, disease, and therapy: overview and methodology
inferred← citeshttps://doi.org/10.1017/cbo9780511730412.009openalex-snapshot
Docking: a domesday report
inferred← citeshttps://doi.org/10.1017/cbo9781139021500.025openalex-snapshot
Computational Approach for Drug Target Identification
inferred← citeshttps://doi.org/10.1021/acs.jafc.9b01203openalex-snapshot
Characterization and Inception of a Triterpenoid Astrakurkurol, as a Cytotoxic Molecule on Human Hepatocellular Carcinoma Cells, Hep3B
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b02008openalex-snapshot
Docking Screens for Novel Ligands Conferring New Biology
inferred← citeshttps://doi.org/10.1021/acs.orglett.0c00122openalex-snapshot
Cross-Coupling Strategy for the Synthesis of Diazocines
inferred← citeshttps://doi.org/10.1021/acs.orglett.6c03473openalex-snapshot
Direct C1–H Amination of Free NH Carbazoles Enabled by the Catellani Reaction
inferred← citeshttps://doi.org/10.1021/acsomega.1c02524openalex-snapshot
Substituted Dibenzodiazocines: Rapid Synthesis and Photochemical Properties
inferred← citeshttps://doi.org/10.1021/bi501505yopenalex-snapshot
Mapping the BH3 Binding Interface of Bcl-xL, Bcl-2, and Mcl-1 Using Split-Luciferase Reassembly
inferred← citeshttps://doi.org/10.1021/cb200439zopenalex-snapshot
Identification of Influenza Endonuclease Inhibitors Using a Novel Fluorescence Polarization Assay
inferred← citeshttps://doi.org/10.1021/cb300555nopenalex-snapshot
Identification of Novel Host-Targeted Compounds That Protect from Anthrax Lethal Toxin-Induced Cell Death
inferred← citeshttps://doi.org/10.1021/cc700153zopenalex-snapshot
Exploration of Structure−Activity Relationships among Foldamer Ligands for a Specific Protein Binding Site via Parallel and Split-and-Mix Library Synthesis
inferred← citeshttps://doi.org/10.1021/ci020055fopenalex-snapshot
Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening
inferred← citeshttps://doi.org/10.1021/ci100501dopenalex-snapshot
Rational Design of New Class of BH3-Mimetics As Inhibitors of the Bcl-xL Protein
inferred← citeshttps://doi.org/10.1021/ci200280mopenalex-snapshot
Discovery of Novel Selective Serotonin Reuptake Inhibitors through Development of a Protein-Based Pharmacophore
inferred← citeshttps://doi.org/10.1021/ci200322sopenalex-snapshot
Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein–Protein Interface
inferred← citeshttps://doi.org/10.1021/ci800022eopenalex-snapshot
Evaluation of Virtual Screening Performance of Support Vector Machines Trained by Sparsely Distributed Active Compounds
inferred← citeshttps://doi.org/10.1021/ci8000474openalex-snapshot
Web Server To Identify Similarity of Amino Acid Motifs to Compounds (SAAMCO)
inferred← citeshttps://doi.org/10.1021/ci900294xopenalex-snapshot
Discovery of Small Molecule Inhibitors of Protein−Protein Interactions Using Combined Ligand and Target Score Normalization
inferred← citeshttps://doi.org/10.1021/ci9003706openalex-snapshot
Molecular Docking Screens Using Comparative Models of Proteins
inferred← citeshttps://doi.org/10.1021/cn900032uopenalex-snapshot
Receptor-Based Discovery of a Plasmalemmal Monoamine Transporter Inhibitor via High-Throughput Docking and Pharmacophore Modeling
inferred← citeshttps://doi.org/10.1021/ja034508oopenalex-snapshot
Molecular Recognition of Protein Surfaces: High Affinity Ligands for the CBP KIX Domain
inferred← citeshttps://doi.org/10.1021/ja0441211openalex-snapshot
Paralog-Selective Ligands for Bcl-2 Proteins
inferred← citeshttps://doi.org/10.1021/ja0563861openalex-snapshot
Deconvoluting the Structural and Drug-Recognition Complexity of the G-Quadruplex-Forming Region Upstream of the bcl-2 P1 Promoter
inferred← citeshttps://doi.org/10.1021/ja4118945openalex-snapshot
The Major G-Quadruplex Formed in the Human BCL-2 Proximal Promoter Adopts a Parallel Structure with a 13-nt Loop in K+ Solution
inferred← citeshttps://doi.org/10.1021/jm0300330openalex-snapshot
Information Decay in Molecular Docking Screens against Holo, Apo, and Modeled Conformations of Enzymes
inferred← citeshttps://doi.org/10.1021/jm0491187openalex-snapshot
Decoys for Docking
inferred← citeshttps://doi.org/10.1021/jm050639jopenalex-snapshot
Novel Human Lipoxygenase Inhibitors Discovered Using Virtual Screening with Homology Models
inferred← citeshttps://doi.org/10.1021/jm060460oopenalex-snapshot
Structure-Based Design of Potent Small-Molecule Inhibitors of Anti-Apoptotic Bcl-2 Proteins
inferred← citeshttps://doi.org/10.1021/jm061400lopenalex-snapshot
Pyrogallol-Based Molecules as Potent Inhibitors of the Antiapoptotic Bcl-2 Proteins
inferred← citeshttps://doi.org/10.1021/jm070383copenalex-snapshot
Structure-Based Design of Flavonoid Compounds As a New Class of Small-Molecule Inhibitors of the Anti-apoptotic Bcl-2 Proteins
inferred← citeshttps://doi.org/10.1021/jm3010306openalex-snapshot
Structure-Based Discovery of BM-957 as a Potent Small-Molecule Inhibitor of Bcl-2 and Bcl-xL Capable of Achieving Complete Tumor Regression
inferred← citeshttps://doi.org/10.1021/jm701358vopenalex-snapshot
Acylpyrogallols as Inhibitors of Antiapoptotic Bcl-2 Proteins
inferred← citeshttps://doi.org/10.1021/jm8005433openalex-snapshot
Structure−Activity Relationship Studies of Phenanthridine-Based Bcl-XL Inhibitors
inferred← citeshttps://doi.org/10.1021/jo0303158openalex-snapshot
Synthesis of Carbazoles via an Intramolecular Cyclization of 2-(6-Substituted 3(Z)-hexen-1,5-diynyl)anilines and Their Related Molecules
inferred← citeshttps://doi.org/10.1021/jo9006249openalex-snapshot
Synthesis of Carbazoles by Intramolecular Arylation of Diarylamide Anions
inferred← citeshttps://doi.org/10.1021/mp7000846openalex-snapshot
Ethyl-2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H- chromene-3-carboxylate (HA 14-1), a Prototype Small-Molecule Antagonist against Antiapoptotic Bcl-2 Proteins, Decomposes To Generate Reactive Oxygen Species That Induce Apoptosis
inferred← citeshttps://doi.org/10.1021/np900192ropenalex-snapshot
Cytotoxic Pentacyclic Triterpenoids from Combretum sundaicum and Lantana camara as Inhibitors of Bcl-xL/BakBH3 Domain Peptide Interaction
inferred← citeshttps://doi.org/10.1023/b:appt.0000045786.98031.1dopenalex-snapshot
Apoptosome dysfunction in human cancer
inferred← citeshttps://doi.org/10.1023/b:jcam.0000022559.72848.1copenalex-snapshot
Molecular dynamics study of peptide segments of the BH3 domain of the proapoptotic proteins Bak, Bax, Bid and Hrk bound to the Bcl-xL and Bcl-2 proteins
inferred← citeshttps://doi.org/10.1038/cdd.2008.37openalex-snapshot
Targeting the Bcl-2-regulated apoptosis pathway by BH3 mimetics: a breakthrough in anticancer therapy?
inferred← citeshttps://doi.org/10.1038/cdd.2014.105openalex-snapshot
Elimination of quiescent/slow-proliferating cancer stem cells by Bcl-XL inhibition in non-small cell lung cancer
inferred← citeshttps://doi.org/10.1038/nature03579openalex-snapshot
An inhibitor of Bcl-2 family proteins induces regression of solid tumours
inferred← citeshttps://doi.org/10.1038/nrc1736openalex-snapshot
Promoting apoptosis as a strategy for cancer drug discovery
inferred← citeshttps://doi.org/10.1038/nrc3690openalex-snapshot
Oncogenic protein interfaces: small molecules, big challenges
inferred← citeshttps://doi.org/10.1038/nrd.2016.29openalex-snapshot
Small molecules, big targets: drug discovery faces the protein–protein interaction challenge
inferred← citeshttps://doi.org/10.1038/nrd1343openalex-snapshot
Small-molecule inhibitors of protein–protein interactions: progressing towards the dream
inferred← citeshttps://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferred← citeshttps://doi.org/10.1038/nrd2658openalex-snapshot
BCL-2 family antagonists for cancer therapy
inferred← citeshttps://doi.org/10.1038/onc.2008.307openalex-snapshot
Bcl-2 family proteins and cancer
inferred← citeshttps://doi.org/10.1038/onc.2009.39openalex-snapshot
BH3-only proteins in apoptosis and beyond: an overview
inferred← citeshttps://doi.org/10.1038/sj.bjp.0707532openalex-snapshot
Ligand discovery and virtual screening using the program LIDAEUS
inferred← citeshttps://doi.org/10.1038/sj.cdd.4401556openalex-snapshot
Apoptosis-based therapies and drug targets
inferred← citeshttps://doi.org/10.1038/sj.cdd.4401992openalex-snapshot
BCL-2 in the crosshairs: tipping the balance of life and death
inferred← citeshttps://doi.org/10.1038/sj.leu.2403029openalex-snapshot
Recent advances in the development of anticancer agents targeting cell death inhibitors in the Bcl-2 protein family
inferred← citeshttps://doi.org/10.1038/sj.leu.2403102openalex-snapshot
HA14-1 selectively induces apoptosis in Bcl-2-overexpressing leukemia/lymphoma cells, and enhances cytarabine-induced cell death
inferred← citeshttps://doi.org/10.1038/sj.onc.1206454openalex-snapshot
Apoptosis and melanoma chemoresistance
inferred← citeshttps://doi.org/10.1038/sj.onc.1207102openalex-snapshot
The Bcl-2 family: roles in cell survival and oncogenesis
inferred← citeshttps://doi.org/10.1038/sj.onc.1209599openalex-snapshot
Mitochondriotoxic compounds for cancer therapy
inferred← citeshttps://doi.org/10.1038/srep22878openalex-snapshot
Structure-Based Virtual Ligand Screening on the XRCC4/DNA Ligase IV Interface
inferred← citeshttps://doi.org/10.1039/9781849735377-00319openalex-snapshot
Computational Strategies and Challenges for Targeting Protein–Protein Interactions with Small Molecules
inferred← citeshttps://doi.org/10.1039/b608043jopenalex-snapshot
Synthetic non-peptide mimetics of α-helices
inferred← citeshttps://doi.org/10.1039/b808767aopenalex-snapshot
Intermolecular sequential [4 + 2]-cycloaddition–aromatization reaction of aryl-substituted allenes with DMAD affording phenanthrene and naphthalene derivatives
inferred← citeshttps://doi.org/10.1039/c0cc02969fopenalex-snapshot
Profiling small molecule inhibitors against helix–receptor interactions: the Bcl-2 family inhibitor BH3I-1 potently inhibits p53/hDM2
inferred← citeshttps://doi.org/10.1039/c4cc04778hopenalex-snapshot
Indanthrone dye revisited after sixty years
inferred← citeshttps://doi.org/10.1039/c4tb00539bopenalex-snapshot
Double-layered hyaluronic acid/stearic acid-modified polyethyleneimine nanoparticles encapsulating (−)-gossypol: a nanocarrier for chiral anticancer drugs
inferred← citeshttps://doi.org/10.1053/hupa.2003.100openalex-snapshot
Clinical applications of molecular genetic testing in hematologic malignancies: Advantages and limitations
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