Metabolic switches of T-cell activation and apoptosis, Antioxidants Redox Signal, vol.4, pp.427-443, 2002. ,
The role of apoptosis in the pathogenesis and treatment of diseases, Eur. Respir. J, vol.9, pp.1293-1305, 1996. ,
Apoptosis in the pathogenesis and treatment of disease, Science, vol.267, pp.1456-1462, 1995. ,
E3 ubiquitin ligases as cancer targets and biomarkers, Neoplasia, vol.8, pp.645-654, 2006. ,
The inhibitors of apoptosis (IAPs) as cancer targets, Apoptosis, vol.12, pp.1543-1568, 2007. ,
TNF receptor 2 pathway: Drug target for autoimmune diseases, Nat. Rev. Drug Discov, vol.9, pp.482-493, 2010. ,
The PI3K/AKT/mTOR pathway in breast cancer: Targets, trials and biomarkers, Ther. Adv. Med. Oncol, vol.6, pp.154-166, 2014. ,
Inhibiting ROR?t/Th17 axis for autoimmune disorders, Drug Discov. Today, vol.19, pp.1205-1211, 2014. ,
Nanoquinacrine induced apoptosis in cervical cancer stem cells through the inhibition of hedgehog-GLI1 cascade: Role of GLI-1, Sci. Rep, vol.6, 2016. ,
Quinacrine induces apoptosis in cancer cells by forming a functional bridge between TRAIL-DR5 complex and modulating the mitochondrial intrinsic cascade, Oncotarget, vol.8, pp.248-267, 2017. ,
Etoposide and doxorubicin enhance the sensitivity of triple negative breast cancers through modulation of TRAIL-DR5 axis, Apoptosis, vol.22, pp.1205-1224, 2017. ,
Therapeutic potential of targeting the Th17/Treg axis in autoimmune disorders, Molecules, vol.22, 2017. ,
Phospholipase C?1 is required for metastasis development and progression, Cancer Res, vol.68, pp.10187-10196, 2008. ,
Diverse cellular and physiological roles of phospholipase C-?1, Adv. Enzyme Regul, vol.52, pp.138-151, 2012. ,
Role of phospholipase C in cell invasion and metastasis, Adv. Biol. Regul, vol.53, pp.309-318, 2013. ,
Disrupting the CD95-PLC?1 interaction prevents Th17-driven inflammation, Nat. Chem. Biol, vol.14, pp.1079-1089, 2018. ,
URL : https://hal.archives-ouvertes.fr/hal-01976911
, Annu. Rev. Physiol, vol.75, pp.127-154, 2012.
Structural basis for recognition of the T Cell adaptor protein SLP-76 by the SH3 domain of phospholipase C?1, J. Mol. Biol, vol.352, pp.1-10, 2005. ,
Activated PLC? breaking loose, Structure, vol.20, 1989. ,
Structural and functional integration of the PLC? interaction domains critical for regulatory mechanisms and signaling deregulation, Structure, vol.20, pp.2062-2075, 2012. ,
Dysfunction of phospholipase C? in immune disorders and cancer, Trends Biochem. Sci, vol.39, pp.603-611, 2014. ,
Oncogenic role of PLCG1 in progression of hepatocellular carcinoma, Hepatol. Res, vol.49, pp.559-569, 2019. ,
Systematic identification of SH3 domain-mediated human protein-protein interactions by peptide array target screening, Proteomics, vol.7, pp.1775-1785, 2007. ,
An SH3 domain is required for the mitogenic activity of microinjected phospholipase C-?1, FEBS Lett, vol.358, pp.287-292, 1995. ,
PLCy1 Src homology domain induces mitogenesis in quiescent NIH 3T3 fibroblasts, Biochem. Biophys. Res. Commun, vol.222, pp.186-193, 1996. ,
Dynamin binds to SH3 domains of phospholipase C? and GRB-2, J. Biol. Chem, vol.269, pp.16009-16014, 1994. ,
Docking and scoring in virtual screening for drug discovery: Methods and applications, Nat. Rev. Drug Discov, vol.3, pp.935-949, 2004. ,
Molecular docking and dynamics simulation studies predict munc18b as a target of mycolactone: A plausible mechanism for granule exocytosis impairment in Buruli Ulcer Pathogenesis, Toxins ,
Molecular Modeling in Drug Design, Molecules, vol.24, p.321, 2019. ,
Insights from investigating the interaction of oseltamivir (Tamiflu) with neuraminidase of the 2009 H1N1 swine flu virus, Biochem. Biophys. Res. Commun, vol.386, pp.432-436, 2009. ,
Novel inhibitor design for hemagglutinin against H1N1 influenza virus by core hopping method, PLoS ONE, vol.6, 2011. ,
Design novel dual agonists for treating type-2 diabetes by targeting peroxisome proliferator-activated receptors with core hopping approach, PLoS ONE, vol.7, 2012. ,
Scouting new sigma receptor ligands: Synthesis, pharmacological evaluation and molecular modeling of 1,3-dioxolane-based structures and derivatives, Eur. J. Med. Chem, vol.112, pp.1-19, 2016. ,
Synthesis, biological evaluation and molecular modeling of 1-oxa-4-thiaspiro-and 1,4-dithiaspiro[4.5]decane derivatives as potent and selective 5-HT1A receptor agonists, Eur. J. Med. Chem, vol.125, pp.435-452, 2017. ,
Histamine H3 receptor ligands by hybrid virtual screening, docking, molecular dynamics simulations, and investigation of their biological effects, Chem. Biol. Drug Des, vol.93, pp.832-843, 2019. ,
Inhibition of the ATPase Domain of Human Topoisomerase IIa on HepG2 Cells by 1, 2-benzenedicarboxylic Acid, Mono (2-ethylhexyl) Ester: Molecular Docking and Dynamics Simulations, Curr. Cancer Drug Targets, vol.19, pp.495-503, 2019. ,
ChEMBL: A large-scale bioactivity database for drug discovery, Nucleic Acids Res, vol.40, pp.1100-1107, 2012. ,
PHASE: A new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results, J. Comput. Aided. Mol. Des, vol.20, pp.647-671, 2006. ,
PHASE: A novel approach to pharmacophore modeling and 3D database searching, Chem. Biol. Drug Des, vol.67, pp.370-372, 2006. ,
, , 2018.
, , 2018.
Protein and ligand preparation: Parameters, protocols, and influence on virtual screening enrichments, J. Comput. Aided. Mol. Des, vol.27, pp.221-234, 2013. ,
, , 2018.
, , 2016.
, , 2018.
, , 2018.
Epik: A software program for pKa prediction and protonation state generation for drug-like molecules, J. Comput. Aided. Mol. Des, vol.21, pp.681-691, 2007. ,
Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution, J. Comput. Aided. Mol. Des, vol.24, pp.591-604, 2010. ,
, , 2018.
, , 2018.
Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy, J. Med. Chem, vol.47, pp.1739-1749, 2004. ,
Glide: A new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening, J. Med. Chem, vol.47, pp.1750-1759, 2004. ,
Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes, J. Med. Chem, vol.49, pp.6177-6196, 2006. ,
, , 2018.
, , 2018.
Novel procedure for modeling ligand/receptor induced fit effects, J. Med. Chem, vol.49, pp.534-553, 2006. ,
Use of an induced fit receptor structure in virtual screening, Chem. Biol. Drug Des, vol.67, pp.83-84, 2006. ,
, Schrödinger Release 2018-2: Induced Fit Docking protocol; Glide
, , 2016.
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids, J. Am. Chem. Soc, vol.118, pp.11225-11236, 1996. ,
, , 2018.
, , 2018.
, , 2018.
Development and testing of a general Amber force field, J. Comput. Chem, vol.25, pp.1157-1174, 2004. ,
Comparison of multiple amber force fields and development of improved protein backbone parameters, Proteins Struct. Funct. Genet, vol.65, pp.712-725, 2006. ,
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation, J. Comput. Chem, vol.21, pp.132-146, 2002. ,
Structure and dynamics of the TIP3P, SPC, and SPC/E water models at 298 K, J. Phys. Chem. A, vol.105, pp.9954-9960, 2001. ,
Particle mesh Ewald: An N·log(N) method for Ewald sums in large systems, J. Chem. Phys, vol.98, pp.10089-10092, 1993. ,
Efficient constraint algorithms for linked rigid bodies, J. Comput. Chem, vol.19, pp.102-111, 1998. ,
Software for processing and analysis of molecular dynamics trajectory data, J. Chem. Theory Comput, vol.9, pp.3084-3095, 2013. ,
VMD: Visual molecular dynamics, J. Mol. Graph, vol.14, pp.33-38, 1996. ,
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities, Expert Opin. Drug Discov, vol.10, pp.449-461, 2015. ,
, This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license, © 2019 by the authors. Licensee MDPI