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Importance of functional groups in predicting the activity of small molecule inhibitors for Bcl‐2 and Bcl‐xL

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What this work says

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

inferredcites →https://doi.org/10.1002/9783527628766openalex-snapshot
Molecular Descriptors for Chemoinformatics
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PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints
inferredcites →https://doi.org/10.1016/j.bmcl.2012.04.106openalex-snapshot
Pyrazole and pyrimidine phenylacylsulfonamides as dual Bcl-2/Bcl-xL antagonists
inferredcites →https://doi.org/10.1016/j.ceb.2005.10.001openalex-snapshot
Life in the balance: how BH3-only proteins induce apoptosis
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Hallmarks of Cancer: The Next Generation
inferredcites →https://doi.org/10.1016/j.ejmech.2012.09.012openalex-snapshot
Synthesis and biological activities of polyquinoline derivatives: New Bcl-2 family protein modulators
inferredcites →https://doi.org/10.1016/j.jscs.2009.10.005openalex-snapshot
QSAR studies on anti-apoptotic Bcl-2 protein inhibitors
inferredcites →https://doi.org/10.1016/j.molcel.2004.12.030openalex-snapshot
Differential Targeting of Prosurvival Bcl-2 Proteins by Their BH3-Only Ligands Allows Complementary Apoptotic Function
inferredcites →https://doi.org/10.1021/ci980065+openalex-snapshot
Hydrogen Bonding Parameters for QSAR: Comparison of Indicator Variables, Hydrogen Bond Counts, Molecular Orbital and Other Parameters
inferredcites →https://doi.org/10.1021/ci990316uopenalex-snapshot
Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients
inferredcites →https://doi.org/10.1021/jm00227a007openalex-snapshot
Dependence of hydrophobicity of apolar molecules on their molecular volume
inferredcites →https://doi.org/10.1021/jm1001265openalex-snapshot
BI-97C1, an Optically Pure Apogossypol Derivative as Pan-Active Inhibitor of Antiapoptotic B-Cell Lymphoma/Leukemia-2 (Bcl-2) Family Proteins
inferredcites →https://doi.org/10.1021/jm101181uopenalex-snapshot
3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile (S1) Based Molecules as Potent, Dual Inhibitors of B-Cell Lymphoma 2 (Bcl-2) and Myeloid Cell Leukemia Sequence 1 (Mcl-1): Structure-Based Design and Structure−Activity Relationship Studies
inferredcites →https://doi.org/10.1021/jm101596eopenalex-snapshot
Quinazoline Sulfonamides as Dual Binders of the Proteins B-Cell Lymphoma 2 and B-Cell Lymphoma Extra Long with Potent Proapoptotic Cell-Based Activity
inferredcites →https://doi.org/10.1021/jm4001105openalex-snapshot
A Potent and Highly Efficacious Bcl-2/Bcl-xL Inhibitor
inferredcites →https://doi.org/10.1021/jm400556wopenalex-snapshot
Discovery of Potent and Selective Benzothiazole Hydrazone Inhibitors of Bcl-XL
inferredcites →https://doi.org/10.1021/jm501134eopenalex-snapshot
Identifying Novel Selective Non-Nucleoside DNA Methyltransferase 1 Inhibitors through Docking-Based Virtual Screening
inferredcites →https://doi.org/10.1021/jp980230oopenalex-snapshot
Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods
inferredcites →https://doi.org/10.1038/70237openalex-snapshot
Bcl-2 proteins: regulators of apoptosis or of mitochondrial homeostasis?
inferredcites →https://doi.org/10.1038/ncb1499openalex-snapshot
Hierarchical regulation of mitochondrion-dependent apoptosis by BCL-2 subfamilies
inferredcites →https://doi.org/10.1038/nm.3048openalex-snapshot
ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets
inferredcites →https://doi.org/10.1038/nrm2308openalex-snapshot
The BCL-2 protein family: opposing activities that mediate cell death
inferredcites →https://doi.org/10.1038/nrm3722openalex-snapshot
Control of apoptosis by the BCL-2 protein family: implications for physiology and therapy
inferredcites →https://doi.org/10.1038/sj.onc.1210220openalex-snapshot
The Bcl-2 apoptotic switch in cancer development and therapy
inferredcites →https://doi.org/10.1093/biomet/61.1.1openalex-snapshot
The Jackknife--A Review
inferredcites →https://doi.org/10.1093/nar/gkt1031openalex-snapshot
The ChEMBL bioactivity database: an update
inferredcites →https://doi.org/10.1111/j.1365-2125.1983.tb02136.xopenalex-snapshot
Standard units for expressing drug concentrations in biological fluids.
inferredcites →https://doi.org/10.1126/science.3874430openalex-snapshot
Involvement of the bcl -2 Gene in Human Follicular Lymphoma
inferredcites →https://doi.org/10.1158/0008-5472.can-07-5836openalex-snapshot
ABT-263: A Potent and Orally Bioavailable Bcl-2 Family Inhibitor
inferredcites →https://doi.org/10.1517/14728222.2013.733001openalex-snapshot
Targeting the Bcl-2 family for cancer therapy
inferredcites →https://doi.org/10.2174/092986611794927992openalex-snapshot
3D-QSAR Study on a Series of Bcl-2 Protein Inhibitors Using Comparative Molecular Field Analysis

What points at this work

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

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Studies on the Mode of Membrane Interaction of C-terminally Amidated Brevinin1 HYba1 and 2 Peptides Against Bacteria
inferred← citeshttps://doi.org/10.1007/s11030-018-9856-xopenalex-snapshot
Identification of molecular features necessary for selective inhibition of B cell lymphoma proteins using machine learning techniques
inferred← citeshttps://doi.org/10.1016/b978-0-12-809633-8.20197-0openalex-snapshot
Quantitative Structure-Activity Relationship (QSAR): Modeling Approaches to Biological Applications
inferred← citeshttps://doi.org/10.1016/b978-0-12-809633-8.20278-1openalex-snapshot
Protein Structural Bioinformatics: An Overview
inferred← citeshttps://doi.org/10.1016/b978-0-323-95502-7.00026-9openalex-snapshot
Protein Structural Bioinformatics: An Overview
inferred← citeshttps://doi.org/10.1016/b978-0-323-95502-7.00311-0openalex-snapshot
Quantitative Structure-Activity Relationship (QSAR): Modeling Approaches to Biological Applications
inferred← citeshttps://doi.org/10.1016/bs.apcsb.2019.11.013openalex-snapshot
Computational approaches for identifying potential inhibitors on targeting protein interactions in drug discovery
inferred← citeshttps://doi.org/10.1016/j.jmgm.2017.11.011openalex-snapshot
Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach
inferred← citeshttps://doi.org/10.1016/j.mrfmmm.2017.08.003openalex-snapshot
Investigating mutation-specific biological activities of small molecules using quantitative structure-activity relationship for epidermal growth factor receptor in cancer
inferred← citeshttps://doi.org/10.1038/s41598-021-92825-5openalex-snapshot
Exploring the chemical space of protein–protein interaction inhibitors through machine learning
inferred← citeshttps://doi.org/10.1039/d2cp01755eopenalex-snapshot
Selectivity mechanism of BCL-XL/2 inhibition through in silico investigation
inferred← citeshttps://doi.org/10.1155/2019/9858371openalex-snapshot
Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
inferred← citeshttps://doi.org/10.1609/aaai.v37i7.26005openalex-snapshot
Grouping Matrix Based Graph Pooling with Adaptive Number of Clusters
inferred← citeshttps://doi.org/10.2174/1568026619666190304143354openalex-snapshot
Influence of Amino Acid Mutations and Small Molecules on Targeted Inhibition of Proteins Involved in Cancer
inferred← citeshttps://doi.org/10.2174/1568026619666190618142432openalex-snapshot
Forging New Scaffolds from Old: Combining Scaffold Hopping and Hierarchical Virtual Screening for Identifying Novel Bcl-2 Inhibitors
inferred← citeshttps://doi.org/10.2174/1568026620666200710105507openalex-snapshot
Therapeutic Targets and Computational Approaches on Drug Development for COVID-19
inferred← citeshttps://doi.org/10.2174/1570180815666180502093039openalex-snapshot
Development and Validation of a Robust QSAR Model for Benzothiazole Hydrazone Derivatives as Bcl-XL Inhibitors
inferred← citeshttps://doi.org/10.3390/cancers14215241openalex-snapshot
Novel BH4-BCL-2 Domain Antagonists Induce BCL-2-Mediated Apoptosis in Triple-Negative Breast Cancer
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