标题
Exploring protein hotspots by optimized fragment pharmacophores
作者
关键词
-
出版物
Nature Communications
Volume 12, Issue 1, Pages -
出版商
Springer Science and Business Media LLC
发表日期
2021-05-27
DOI
10.1038/s41467-021-23443-y
参考文献
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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。- Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking
- (2021) Marion Schuller et al. Science Advances
- Comparative therapeutic efficacy of remdesivir and combination lopinavir, ritonavir, and interferon beta against MERS-CoV
- (2020) Timothy P. Sheahan et al. Nature Communications
- The species Severe acute respiratory syndrome-related coronavirus: classifying 2019-nCoV and naming it SARS-CoV-2
- (2020) Nature Microbiology
- Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
- (2020) Zhenming Jin et al. NATURE
- A Trial of Lopinavir–Ritonavir in Adults Hospitalized with Severe Covid-19
- (2020) Bin Cao et al. NEW ENGLAND JOURNAL OF MEDICINE
- Research and Development on Therapeutic Agents and Vaccines for COVID-19 and Related Human Coronavirus Diseases
- (2020) Cynthia Liu et al. ACS Central Science
- F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening
- (2020) Jan Wollenhaupt et al. STRUCTURE
- Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
- (2020) Alice Douangamath et al. Nature Communications
- Repurposed Antiviral Drugs for Covid-19 — Interim WHO Solidarity Trial Results
- (2020) NEW ENGLAND JOURNAL OF MEDICINE
- Fragment hits: What do they look like and how do they bind?
- (2019) Fabrizio Giordanetto et al. JOURNAL OF MEDICINAL CHEMISTRY
- Conservation and Relevance of Pharmacophore Point Types
- (2019) Tobias Fehlmann et al. Journal of Chemical Information and Modeling
- Thermodynamic profiling for fragment-based lead discovery and optimization
- (2019) György G. Ferenczy et al. Expert Opinion on Drug Discovery
- MLL-fusion-driven leukemia requires SETD2 to safeguard genomic integrity
- (2018) Anna Skucha et al. Nature Communications
- Multi-target Fragments Display Versatile Binding Modes
- (2017) Malgorzata N. Drwal et al. Molecular Informatics
- A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density
- (2017) Nicholas M. Pearce et al. Nature Communications
- TheXChemExplorergraphical workflow tool for routine or large-scale protein–ligand structure determination
- (2017) Tobias Krojer et al. Acta Crystallographica Section D-Structural Biology
- Gentle, fast and effective crystal soaking by acoustic dispensing
- (2017) Patrick M. Collins et al. Acta Crystallographica Section D-Structural Biology
- Contemporary developments in the discovery of selective factor Xa inhibitors: A review
- (2016) Nirav R. Patel et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia
- (2016) György M. Keserű et al. JOURNAL OF MEDICINAL CHEMISTRY
- Impact of Binding Site Comparisons on Medicinal Chemistry and Rational Molecular Design
- (2016) Christiane Ehrt et al. JOURNAL OF MEDICINAL CHEMISTRY
- A High-Resolution In Vivo Atlas of the Human Brain's Serotonin System
- (2016) Vincent Beliveau et al. JOURNAL OF NEUROSCIENCE
- On the enthalpic preference of fragment binding
- (2016) György G. Ferenczy et al. MedChemComm
- The Conserved Coronavirus Macrodomain Promotes Virulence and Suppresses the Innate Immune Response during Severe Acute Respiratory Syndrome Coronavirus Infection
- (2016) Anthony R. Fehr et al. mBio
- Opportunity Knocks: Organic Chemistry for Fragment-Based Drug Discovery (FBDD)
- (2015) Christopher W. Murray et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins
- (2015) Dima Kozakov et al. Nature Protocols
- Ligand deconstruction: Why some fragment binding positions are conserved and others are not
- (2015) Dima Kozakov et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery
- (2015) David R. Hall et al. TRENDS IN PHARMACOLOGICAL SCIENCES
- Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
- (2015) Dávid Bajusz et al. Journal of Cheminformatics
- Advantages of crystallographic fragment screening: Functional and mechanistic insights from a powerful platform for efficient drug discovery
- (2014) Disha Patel et al. PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY
- Thermodynamics of Fragment Binding
- (2012) György G. Ferenczy et al. Journal of Chemical Information and Modeling
- Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2
- (2012) Weihong Zheng et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Natural-product-derived fragments for fragment-based ligand discovery
- (2012) Björn Over et al. Nature Chemistry
- ZINCPharmer: pharmacophore search of the ZINC database
- (2012) D. R. Koes et al. NUCLEIC ACIDS RESEARCH
- Pharmer: Efficient and Exact Pharmacophore Search
- (2011) David Ryan Koes et al. Journal of Chemical Information and Modeling
- ChEMBL: a large-scale bioactivity database for drug discovery
- (2011) A. Gaulton et al. NUCLEIC ACIDS RESEARCH
- Fragment-Based Deconstruction of Bcl-xLInhibitors
- (2010) Sarah Barelier et al. JOURNAL OF MEDICINAL CHEMISTRY
- New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
- (2010) Jonathan B. Baell et al. JOURNAL OF MEDICINAL CHEMISTRY
- Fragment-based identification of druggable ‘hot spots’ of proteins using Fourier domain correlation techniques
- (2009) Ryan Brenke et al. BIOINFORMATICS
- Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis
- (2009) Noeris K. Salam et al. Journal of Chemical Information and Modeling
- Three-Dimensional Pharmacophore Methods in Drug Discovery
- (2009) Andrew R. Leach et al. JOURNAL OF MEDICINAL CHEMISTRY
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