Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein
出版年份 2021 全文链接
标题
Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein
作者
关键词
-
出版物
Scientific Reports
Volume 11, Issue 1, Pages -
出版商
Springer Science and Business Media LLC
发表日期
2021-02-20
DOI
10.1038/s41598-021-83626-x
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- User guide for the discovery of potential drugs via protein structure prediction and ligand docking simulation
- (2020) Bilal Shaker et al. JOURNAL OF MICROBIOLOGY
- Designing a multi-epitope vaccine against SARS-CoV-2: an immunoinformatics approach
- (2020) Abdus Samad et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- High expression of bone morphogenetic protein 1 (BMP1) is associated with a poor survival rate in human gastric cancer, a dataset approaches
- (2020) Jahirul Hasnat Rafi et al. GENOMICS
- In silico ADME and Toxicity Prediction of Ceftazidime and Its Impurities
- (2019) Ying Han et al. Frontiers in Pharmacology
- Hepatocellular carcinoma: Mechanisms of progression and immunotherapy
- (2019) Yu Jiang et al. WORLD JOURNAL OF GASTROENTEROLOGY
- ASTX660, a Novel Non-peptidomimetic Antagonist of cIAP1/2 and XIAP, Potently Induces TNFα-Dependent Apoptosis in Cancer Cell Lines and Inhibits Tumor Growth
- (2018) George A. Ward et al. MOLECULAR CANCER THERAPEUTICS
- ProTox-II: a webserver for the prediction of toxicity of chemicals
- (2018) Priyanka Banerjee et al. NUCLEIC ACIDS RESEARCH
- CASTp 3.0: computed atlas of surface topography of proteins
- (2018) Wei Tian et al. NUCLEIC ACIDS RESEARCH
- Non-coding RNAs in Various Stages of Liver Disease Leading to Hepatocellular Carcinoma: Differential Expression of miRNAs, piRNAs, lncRNAs, circRNAs, and sno/mt-RNAs
- (2018) Srinivas V. Koduru et al. Scientific Reports
- ChEMBL: towards direct deposition of bioassay data
- (2018) David Mendez et al. NUCLEIC ACIDS RESEARCH
- An Improved Receptor-Based Pharmacophore Generation Algorithm Guided by Atomic Chemical Characteristics and Hybridization Types
- (2018) Gaoqi He et al. Frontiers in Pharmacology
- Ror2 signaling regulates Golgi structure and transport through IFT20 for tumor invasiveness
- (2017) Michiru Nishita et al. Scientific Reports
- Discovery of the first dual inhibitor of the 5-lipoxygenase-activating protein and soluble epoxide hydrolase using pharmacophore-based virtual screening
- (2017) Veronika Temml et al. Scientific Reports
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
- (2017) Antoine Daina et al. Scientific Reports
- Virtual Screening, pharmacophore development and structure based similarity search to identify inhibitors against IdeR, a transcription factor of Mycobacterium tuberculosis
- (2017) Akshay Rohilla et al. Scientific Reports
- In silico toxicology: computational methods for the prediction of chemical toxicity
- (2016) Arwa B. Raies et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- ZINC 15 – Ligand Discovery for Everyone
- (2015) Teague Sterling et al. Journal of Chemical Information and Modeling
- Modeling, molecular dynamics, and docking assessment of transcription factor rho: a potential drug target in Brucella melitensis 16M
- (2015) Jangampalli Adi Pradeepkiran et al. Drug Design Development and Therapy
- Structure Based Design, Synthesis, Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Novel Cyclophilin D Inhibitors
- (2014) Koteswara Rao Valasani et al. Journal of Chemical Information and Modeling
- X-Linked Inhibitor of Apoptosis Protein – A Critical Death Resistance Regulator and Therapeutic Target for Personalized Cancer Therapy
- (2014) Petra Obexer et al. Frontiers in Oncology
- The structure of XIAP BIR2: understanding the selectivity of the BIR domains
- (2013) Christine Lukacs et al. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- Design, synthesis and evaluation of inhibitor of apoptosis protein (IAP) antagonists that are highly selective for the BIR2 domain of XIAP
- (2013) Robert J. Ardecky et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
- (2013) G. Madhavi Sastry et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain
- (2013) Robert F. Kester et al. JOURNAL OF MEDICINAL CHEMISTRY
- X-linked Inhibitor of Apoptosis Protein negatively regulates neuronal differentiation through interaction with cRAF and Trk
- (2013) Rut Fadó et al. Scientific Reports
- Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
- (2012) Xuan-Yu Meng et al. Current Computer-Aided Drug Design
- Synthesis and biological evaluation of new homocamptothecin analogs
- (2012) Yu Luo et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
- (2012) Michael M. Mysinger et al. JOURNAL OF MEDICINAL CHEMISTRY
- ZINCPharmer: pharmacophore search of the ZINC database
- (2012) D. R. Koes et al. NUCLEIC ACIDS RESEARCH
- Structure-based drug design to augment hit discovery
- (2011) Subha Kalyaanamoorthy et al. DRUG DISCOVERY TODAY
- Pharmacophore modeling and virtual screening studies to identify new c-Met inhibitors
- (2011) Wenting Tai et al. JOURNAL OF MOLECULAR MODELING
- A Hierarchical Clustering Methodology for the Estimation of Toxicity
- (2008) Todd M. Martin et al. TOXICOLOGY MECHANISMS AND METHODS
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