Molecular Quantum Similarity, Chemical Reactivity and Database Screening of 3D Pharmacophores of the Protein Kinases A, B and G from Mycobacterium tuberculosis
Published 2017 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Molecular Quantum Similarity, Chemical Reactivity and Database Screening of 3D Pharmacophores of the Protein Kinases A, B and G from Mycobacterium tuberculosis
Authors
Keywords
-
Journal
MOLECULES
Volume 22, Issue 6, Pages 1027
Publisher
MDPI AG
Online
2017-06-22
DOI
10.3390/molecules22061027
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Analyzing the substitution effect on the CoMFA results within the framework of density functional theory (DFT)
- (2016) Alejandro Morales-Bayuelo JOURNAL OF MOLECULAR MODELING
- Virtual screening for the identification of novel inhibitors of Mycobacterium tuberculosis cell wall synthesis: Inhibitors targeting RmlB and RmlC
- (2015) Ji-Xia Ren et al. COMPUTERS IN BIOLOGY AND MEDICINE
- Evidence that phosphorylation of threonine in the GT motif triggers activation of PknA, a eukaryotic-type serine/threonine kinase fromMycobacterium tuberculosis
- (2015) Sandeep K. Ravala et al. FEBS Journal
- Structure-based virtual screening as a tool for the identification of novel inhibitors against Mycobacterium tuberculosis 3-dehydroquinate dehydratase
- (2015) Guilherme O. Petersen et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Lead selection and characterization of antitubercular compounds using the Nested Chemical Library
- (2015) Anna Sipos et al. TUBERCULOSIS
- Synthesis of new verapamil analogues and their evaluation in combination with rifampicin against Mycobacterium tuberculosis and molecular docking studies in the binding site of efflux protein Rv1258c
- (2014) Kawaljit Singh et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Design, synthesis and molecular docking of substituted 3-hydrazinyl-3-oxo-propanamides as anti-tubercular agents
- (2014) Arshi Naqvi et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances
- (2014) Evanthia Lionta et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Spectinamides: a new class of semisynthetic antituberculosis agents that overcome native drug efflux
- (2014) Richard E Lee et al. NATURE MEDICINE
- Redesigned antibiotic combats drug-resistant tuberculosis
- (2014) Megan Cully NATURE REVIEWS DRUG DISCOVERY
- Discovery of novel inhibitors targeting the Mycobacterium tuberculosis O-acetylserine sulfhydrylase (CysK1) using virtual high-throughput screening
- (2013) Variam Ullas Jean kumar 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
- Advances in the development of new tuberculosis drugs and treatment regimens
- (2013) Alimuddin Zumla et al. NATURE REVIEWS DRUG DISCOVERY
- Indolcarboxamide Is a Preclinical Candidate for Treating Multidrug-Resistant Tuberculosis
- (2013) S. P. S. Rao et al. Science Translational Medicine
- A Human Type 5 Adenovirus-Based Tuberculosis Vaccine Induces Robust T Cell Responses in Humans Despite Preexisting Anti-Adenovirus Immunity
- (2013) F. Smaill et al. Science Translational Medicine
- Substituted aminopyrimidine protein kinase B (PknB) inhibitors show activity against Mycobacterium tuberculosis
- (2012) Timothy M. Chapman et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Collective Euclidian distances and quantum similarity
- (2012) Ramon Carbó-Dorca JOURNAL OF MATHEMATICAL CHEMISTRY
- Novel inhibitors of Mycobacterium tuberculosis dTDP-6-deoxy-l-lyxo-4-hexulose reductase (RmlD) identified by virtual screening
- (2011) Yi Wang et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Novel thiolactone–isatin hybrids as potential antimalarial and antitubercular agents
- (2011) Renate H. Hans et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Facile transformation of Biginelli pyrimidin-2(1H)-ones to pyrimidines. In vitro evaluation as inhibitors of Mycobacterium tuberculosis and modulators of cytostatic activity
- (2011) Kamaljit Singh et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions
- (2011) Mats H. M. Olsson et al. Journal of Chemical Theory and Computation
- Scaled Euclidian distances: a general dissimilarity index with a suitably defined geometrical foundation
- (2011) Ramon Carbó-Dorca JOURNAL OF MATHEMATICAL CHEMISTRY
- AMP-activated protein kinase: a potential player in Alzheimer’s disease
- (2011) Antero Salminen et al. JOURNAL OF NEUROCHEMISTRY
- Synthesis and in vitro antimalarial and antitubercular activity of gold(III) complexes containing thiosemicarbazone ligands
- (2011) Setshaba D. Khanye et al. JOURNAL OF ORGANOMETALLIC CHEMISTRY
- Effective inhibitors of the essential kinase PknB and their potential as anti-mycobacterial agents
- (2011) Kathryn E.A. Lougheed et al. TUBERCULOSIS
- AMP-activated protein kinase inhibits alkaline pH- and PKA-induced apical vacuolar H+-ATPase accumulation in epididymal clear cells
- (2009) Kenneth R. Hallows et al. AMERICAN JOURNAL OF PHYSIOLOGY-CELL PHYSIOLOGY
- Synthesis, antimalarial and antitubercular activity of acetylenic chalcones
- (2009) Renate H. Hans et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Through the “Gatekeeper Door”: Exploiting the Active Kinase Conformation
- (2009) Fabio Zuccotto et al. JOURNAL OF MEDICINAL CHEMISTRY
- Resistance to second-line injectables and treatment outcomes in multidrug-resistant and extensively drug-resistant tuberculosis cases
- (2008) G. B. Migliori et al. EUROPEAN RESPIRATORY JOURNAL
- A novel drug discovery concept for tuberculosis: Inhibition of bacterial and host cell signalling
- (2008) Rita Székely et al. IMMUNOLOGY LETTERS
- A new insight on the quantum quantitative structure-properties relationships
- (2008) Ramon Carbó-Dorca et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search