On the public citation graph

Discovery of Picomolar ABL Kinase Inhibitors Equipotent for Wild Type and T315I Mutant via Structure-Based de Novo Design

0 signed · 88 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/(sici)1096-987x(19981115)19:14<1639::aid-jcc10>3.0.co;2-bopenalex-snapshot
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
inferredcites →https://doi.org/10.1002/(sici)1097-0134(19990101)34:1<4::aid-prot2>3.0.co;2-6openalex-snapshot
Ligand solvation in molecular docking
inferredcites →https://doi.org/10.1002/cmdc.201100410openalex-snapshot
Nocodazole is a High‐Affinity Ligand for the Cancer‐Related Kinases ABL, c‐KIT, BRAF, and MEK
inferredcites →https://doi.org/10.1002/jcc.20290openalex-snapshot
The Amber biomolecular simulation programs
inferredcites →https://doi.org/10.1002/med.20175openalex-snapshot
New insights into small‐molecule inhibitors of Bcr‐Abl
inferredcites →https://doi.org/10.1007/s0089400060379openalex-snapshot
Molecular Modeling of Fullerene Dendrimers
inferredcites →https://doi.org/10.1007/s0089400060498openalex-snapshot
LigBuilder: A Multi-Purpose Program for Structure-Based Drug Design
inferredcites →https://doi.org/10.1007/s008940050096openalex-snapshot
SCORE: A New Empirical Method for Estimating the Binding Affinity of a Protein-Ligand Complex
inferredcites →https://doi.org/10.1007/s10822-012-9593-7openalex-snapshot
Identification of common inhibitors of wild-type and T315I mutant of BCR-ABL through the parallel structure-based virtual screening
inferredcites →https://doi.org/10.1016/0021-9991(77)90098-5openalex-snapshot
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/j.bmcl.2007.08.043openalex-snapshot
The design and preliminary structure–activity relationship studies of benzotriazines as potent inhibitors of Abl and Abl-T315I enzymes
inferredcites →https://doi.org/10.1016/j.bmcl.2010.05.043openalex-snapshot
Broad spectrum alkynyl inhibitors of T315I Bcr-Abl
inferredcites →https://doi.org/10.1016/j.bmcl.2011.02.029openalex-snapshot
Hybrid compounds as new Bcr/Abl inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2011.04.060openalex-snapshot
Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR–ABL including the T315I gatekeeper mutant
inferredcites →https://doi.org/10.1016/j.bmcl.2011.09.127openalex-snapshot
Synthesis and docking study of 2-phenylaminopyrimidine Abl tyrosine kinase inhibitors
inferredcites →https://doi.org/10.1016/j.ccr.2005.01.007openalex-snapshot
Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl
inferredcites →https://doi.org/10.1016/j.ceb.2009.01.014openalex-snapshot
The interplay of structural information and functional studies in kinase drug design: insights from BCR-Abl
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1021/ci200378sopenalex-snapshot
Identification of Novel Inhibitors of Tropomyosin-Related Kinase A through the Structure-Based Virtual Screening with Homology-Modeled Protein Structure
inferredcites →https://doi.org/10.1021/jm0102250openalex-snapshot
Optimization of 4-Phenylamino-3-quinolinecarbonitriles as Potent Inhibitors of Src Kinase Activity
inferredcites →https://doi.org/10.1021/jm049486aopenalex-snapshot
Discovery of N -(2-Chloro-6-methyl- phenyl)-2-(6-(4-(2-hydroxyethyl)- piperazin-1-yl)-2-methylpyrimidin-4- ylamino)thiazole-5-carboxamide (BMS-354825), a Dual Src/Abl Kinase Inhibitor with Potent Antitumor Activity in Preclinical Assays
inferredcites →https://doi.org/10.1021/jm050362nopenalex-snapshot
A Critical Assessment of Docking Programs and Scoring Functions
inferredcites →https://doi.org/10.1021/jm100395qopenalex-snapshot
Discovery of 3-[2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide (AP24534), a Potent, Orally Active Pan-Inhibitor of Breakpoint Cluster Region-Abelson (BCR-ABL) Kinase Including the T315I Gatekeeper Mutant
inferredcites →https://doi.org/10.1021/jm800984vopenalex-snapshot
Fragment-Based Discovery of the Pyrazol-4-yl Urea (AT9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity
inferredcites →https://doi.org/10.1021/jm901808wopenalex-snapshot
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I “Gatekeeper” Mutant of Bcr-Abl
inferredcites →https://doi.org/10.1021/jp9717655openalex-snapshot
Application of the RESP Methodology in the Parametrization of Organic Solvents
inferredcites →https://doi.org/10.1038/nrd2324openalex-snapshot
Flying under the radar: the new wave of BCR–ABL inhibitors
inferredcites →https://doi.org/10.1038/nrd839openalex-snapshot
Glivec (STI571, imatinib), a rationally developed, targeted anticancer drug
inferredcites →https://doi.org/10.1038/sj.leu.2403775openalex-snapshot
Abl inhibitor BMS354825 binding mode in Abelson kinase revealed by molecular docking studies
inferredcites →https://doi.org/10.1063/1.445869openalex-snapshot
Comparison of simple potential functions for simulating liquid water
inferredcites →https://doi.org/10.1063/1.448118openalex-snapshot
Molecular dynamics with coupling to an external bath
inferredcites →https://doi.org/10.1080/08927022.2012.696113openalex-snapshot
Docking and molecular dynamics studies of new potential inhibitors of the human epidermal receptor 2
inferredcites →https://doi.org/10.1080/08927029308022161openalex-snapshot
An Effective Solvation Term Based on Atomic Occupancies for Use in Protein Simulations
inferredcites →https://doi.org/10.1103/physreve.75.021916openalex-snapshot
Cubic equation governing the outer-region dielectric constant of globular proteins
inferredcites →https://doi.org/10.1111/j.1747-0285.2007.00556.xopenalex-snapshot
Crystal Structure of the T315I Mutant of Abl Kinase
inferredcites →https://doi.org/10.1124/dmd.110.036616openalex-snapshot
Pharmacokinetic Optimization of 4-Substituted Methoxybenzoyl-aryl-thiazole and 2-Aryl-4-benzoyl-imidazole for Improving Oral Bioavailability
inferredcites →https://doi.org/10.1158/0008-5472.can-05-4187openalex-snapshot
The Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain Elucidates Its Inhibitory Activity against Imatinib-Resistant ABL Mutants
inferredcites →https://doi.org/10.1158/1078-0432.ccr-08-0117openalex-snapshot
Therapeutic Options Against BCR-ABL1 T315I-Positive Chronic Myelogenous Leukemia
inferredcites →https://doi.org/10.1182/blood-2005-06-2209openalex-snapshot
NS-187, a potent and selective dual Bcr-Abl/Lyn tyrosine kinase inhibitor, is a novel agent for imatinib-resistant leukemia
inferredcites →https://doi.org/10.1182/blood-2006-05-025049openalex-snapshot
MK-0457, a novel kinase inhibitor, is active in patients with chronic myeloid leukemia or acute lymphocytic leukemia with the T315I BCR-ABL mutation
inferredcites →https://doi.org/10.1182/blood-2007-03-066936openalex-snapshot
Bcr-Abl kinase domain mutations, drug resistance, and the road to a cure for chronic myeloid leukemia
inferredcites →https://doi.org/10.1182/blood-2007-09-113175openalex-snapshot
Simultaneous targeting of Aurora kinases and Bcr-Abl kinase by the small molecule inhibitor PHA-739358 is effective against imatinib-resistant BCR-ABL mutations including T315I
inferredcites →https://doi.org/10.1182/blood-2008-03-144790openalex-snapshot
Molecular biology of bcr-abl1–positive chronic myeloid leukemia
inferredcites →https://doi.org/10.1182/blood-2009-01-199307openalex-snapshot
KW-2449, a novel multikinase inhibitor, suppresses the growth of leukemia cells with FLT3 mutations or T315I-mutated BCR/ABL translocation
inferredcites →https://doi.org/10.1186/1758-2946-5-8openalex-snapshot
New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms
inferredcites →https://doi.org/10.1371/journal.pone.0029828openalex-snapshot
Structural and Spectroscopic Analysis of the Kinase Inhibitor Bosutinib and an Isomer of Bosutinib Binding to the Abl Tyrosine Kinase Domain
inferredcites →https://doi.org/10.1517/13543784.17.6.865openalex-snapshot
New Bcr-Abl inhibitors in chronic myeloid leukemia: keeping resistance in check
inferredcites →https://doi.org/10.5860/choice.35-3309openalex-snapshot
An introduction to hydrogen bonding

What points at this work

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

inferred← citeshttps://doi.org/10.2139/ssrn.4812562openalex-extracted
Design, Synthesis, Biological Evaluation and Molecular Docking Studies of Tetrahydropyrido[3, 4-D]Pyrimidine Derivatives as Anti-Leukemic Agents
inferred← citeshttps://doi.org/10.1002/ange.201703389openalex-snapshot
Discovery of EGF Receptor Inhibitors That Are Selective for the d746‐750/T790M/C797S Mutant through Structure‐Based de Novo Design
inferred← citeshttps://doi.org/10.1002/ange.201814681openalex-snapshot
Automated De Novo Drug Design: Are We Nearly There Yet?
inferred← citeshttps://doi.org/10.1002/anie.201703389openalex-snapshot
Discovery of EGF Receptor Inhibitors That Are Selective for the d746‐750/T790M/C797S Mutant through Structure‐Based de Novo Design
inferred← citeshttps://doi.org/10.1002/anie.201814681openalex-snapshot
Automated De Novo Drug Design: Are We Nearly There Yet?
inferred← citeshttps://doi.org/10.1002/bkcs.11064openalex-snapshot
Docking‐based In Silico Screening for Identification of Micromolar Inhibitors of Tropomyosin‐related Kinase A from Natural Origin
inferred← citeshttps://doi.org/10.1002/slct.201600627openalex-snapshot
Selenium‐Catalyzed Carbonylation of 2‐Aminobenzimidazole with Alcohols to 2‐Benzimidazolecarbamates
inferred← citeshttps://doi.org/10.1007/978-1-0716-1209-5_16openalex-snapshot
Multiple Target Drug Design Using LigBuilder 3
inferred← citeshttps://doi.org/10.1007/978-3-319-92405-2_4openalex-snapshot
Nonbonded Interaction: The Chalcogen Bond
inferred← citeshttps://doi.org/10.1007/s00894-016-3099-5openalex-snapshot
Insight into drug resistance mechanisms and discovery of potential inhibitors against wild-type and L1196M mutant ALK from FDA-approved drugs
inferred← citeshttps://doi.org/10.1007/s00894-021-04925-8openalex-snapshot
Investigation on the interaction behavior of afatinib, dasatinib, and imatinib docked to the BCR-ABL protein
inferred← citeshttps://doi.org/10.1016/bs.aihch.2016.11.002openalex-snapshot
A Synopsis of the Properties and Applications of Heteroaromatic Rings in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1016/j.bmc.2015.04.083openalex-snapshot
Design, synthesis, and biological activity of phenyl-pyrazole derivatives as BCR–ABL kinase inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmcl.2013.12.081openalex-snapshot
Virtual screening and biochemical evaluation to identify new inhibitors of mammalian target of rapamycin (mTOR)
inferred← citeshttps://doi.org/10.1016/j.bmcl.2015.03.067openalex-snapshot
ABL kinase inhibitory and antiproliferative activity of novel picolinamide based benzothiazoles
inferred← citeshttps://doi.org/10.1016/j.bmcl.2015.07.094openalex-snapshot
Structure-based de novo design and synthesis of aminothiazole-based p38 MAP kinase inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmcl.2016.10.007openalex-snapshot
Design, synthesis, and biological activity of 4-(imidazo[1,2-b]pyridazin-3-yl)-1H-pyrazol-1-yl-phenylbenzamide derivatives as BCR–ABL kinase inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmcl.2016.10.060openalex-snapshot
Identification of lead small molecule inhibitors of glycogen synthase kinase-3 beta using a fragment-linking strategy
inferred← citeshttps://doi.org/10.1016/j.comtox.2021.100180openalex-snapshot
Implementation of docking, molecular dynamics and free energy to investigate drug potency of novel BCR-ABLT315I inhibitors as an alternative to ponatinib
inferred← citeshttps://doi.org/10.1016/j.ejmech.2017.11.037openalex-snapshot
Synthesis and anticancer activity of novel water soluble benzimidazole carbamates
inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.12.012openalex-snapshot
The p53 stabilizing agent CP-31398 and multi-kinase inhibitors. Designing, synthesizing and screening of styrylquinazoline series
inferred← citeshttps://doi.org/10.1016/j.molstruc.2020.128567openalex-snapshot
Synthesis, biological evaluation and kinase profiling of novel S-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole derivatives as cytotoxic agents with apoptosis-inducing activity
inferred← citeshttps://doi.org/10.1016/j.rechem.2024.101554openalex-snapshot
Synthesis, biological evaluation and molecular docking studies of tetrahydropyrido[3, 4-d]pyrimidine derivatives as anti-leukemic agents
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c01492openalex-snapshot
Characterization of Protein–Ligand Chalcogen Bonds: Insights from Database Survey and Quantum Mechanics Calculations
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01415openalex-snapshot
Identification of β-Lapachone Analogs as Novel MALT1 Inhibitors To Treat an Aggressive Subtype of Diffuse Large B-Cell Lymphoma
inferred← citeshttps://doi.org/10.1021/acs.joc.0c01053openalex-snapshot
Metal-Free Synthesis of Benzimidazoles via Oxidative Cyclization of d -Glucose with o-Phenylenediamines in Water
inferred← citeshttps://doi.org/10.1021/ci500214eopenalex-snapshot
Consensus Scoring Approach To Identify the Inhibitors of AMP-Activated Protein Kinase α2 with Virtual Screening
inferred← citeshttps://doi.org/10.1021/jm501853mopenalex-snapshot
A Survey of the Role of Noncovalent Sulfur Interactions in Drug Design
inferred← citeshttps://doi.org/10.1039/c3mb70577copenalex-snapshot
In silico identification of novel kinase inhibitors targeting wild-type and T315I mutant ABL1 from FDA-approved drugs
inferred← citeshttps://doi.org/10.1039/c7cp03443aopenalex-snapshot
The opening/closure of the P-loop and hinge of BCR-ABL1 decodes the low/high bioactivities of dasatinib and axitinib
inferred← citeshttps://doi.org/10.1039/d0ob01917hopenalex-snapshot
Kinase and GPCR polypharmacological approach for the identification of efficient anticancer medicines
inferred← citeshttps://doi.org/10.1039/d1sc04444copenalex-snapshot
Structure-based de novo drug design using 3D deep generative models
inferred← citeshttps://doi.org/10.1177/1087057114550784openalex-snapshot
Discovery of Novel DUSP16 Phosphatase Inhibitors through Virtual Screening with Homology Modeled Protein Structure
inferred← citeshttps://doi.org/10.1182/blood.2024026312openalex-snapshot
Novel treatment strategies for chronic myeloid leukemia
inferred← citeshttps://doi.org/10.21826/9786587422237openalex-snapshot
Livro de Resumos do V Encontro Regional da Sociedade Brasileira de Química SBQ Centro Oeste
inferred← citeshttps://doi.org/10.21826/9786587422237-10openalex-snapshot
Da comparação entre métodos de solvatação PCM e SMD para a otimização de bioisósteros do afatinibe para o tratamento de LMC
inferred← citeshttps://doi.org/10.3390/ijms17071055openalex-snapshot
Discovery of a Potential HER2 Inhibitor from Natural Products for the Treatment of HER2-Positive Breast Cancer
inferred← citeshttps://doi.org/10.3390/ph14080770openalex-snapshot
Antileukemic Activity and Molecular Docking Study of a Polyphenolic Extract from Coriander Seeds
inferred← citeshttps://doi.org/10.5012/bkcs.2014.35.9.2655openalex-snapshot
Discovery of Novel DUSP4 Inhibitors through the Virtual Screening with Docking Simulations
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.