Discovery of small-molecule inhibitors of Bcl-2 through structure-based computer screening.

By I. Enyedy, Y. Ling, K. Nacro, Y. Tomita, X. Wu, Y. Cao, R. Guo, B. Li, X. Zhu, Y. Huang and 4 more. Journal of Medicinal Chemistry, 2001

314 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/9e19f4f3f56ccad8f76a6dba1eb85e29525086e0

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Citations in the corpus

Comparative Protein Structure Modeling Using Modeller (2006, background): “…in searching for, designing, and improving ligand binding strength for a given binding site (Ring et al., 1993; Li et al., 1996; Selzer et al., 1997; Enyedy et al., 2001; Que et al., 2002); modeling substrate specificity (Xu et al., 1996); in predicting antigenic epitopes (Sali and Blundell,…”
The Bcl-2 family: roles in cell survival and oncogenesis (2003, background): “Other groups have also identified leads by in silico screening of compound libraries (Wang et al., 2000a; Enyedy et al., 2001), by screening a synthetic library of B16 000 compounds (Degterev et al., 2001), by natural product screening (Nakashima et al., 2000) or by serendipity (Tzung et al., 2001).”
Apoptosis and melanoma chemoresistance (2003, background): “These strategies have identified potent antagonists of Bcl-2 and BclxL (Degterev et al., 2001; Enyedy et al., 2001) that may serve as new inducers of cell death in melanoma cells.”
New design strategies for antidepressant drugs (2013, background): “Micromolar affinities for VS hit compounds are not uncommon when homology models are employed [112-118], especially given the low sequence identity (< 30%) between LeuT and hSERT.”
Bcl-2 family proteins and cancer (2008, background): “…inhibitors of antiapoptotic Bcl-2-family proteins based on mimicking BH3 peptides have been described (Wang et al., 2000a, b; Degterev et al., 2001; Enyedy et al., 2001; Tzung et al., 2001; Kutzki et al., 2002; Leone et al., 2003; Becattini et al., 2004; Pellecchia and Reed, 2004; Walensky et al.,…”
Role of Bcl-2 family proteins and caspases in the regulation of apoptosis (2011, background): “A number of therapeutic approaches are undergoing using an antisense RNA [208], various small molecules [209–218, 222, 223], and peptidic compounds [219–221, 224, 225] classified as potential therapeutics to target the pathway of apoptosis, as briefly summarized in Table 2.”
The BH3 mimetic ABT-737 targets selective Bcl-2 proteins and efficiently induces apoptosis via Bak/Bax if Mcl-1 is neutralized. (2006, background): “, 2001), Compound 6 (Enyedy et al., 2001), Antimycin A (Tzung et al.”