Are vanadium complexes druggable against the main protease Mpro of SARS-CoV-2? – A computational approach
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Title
Are vanadium complexes druggable against the main protease Mpro of SARS-CoV-2? – A computational approach
Authors
Keywords
Corona virus, COVID-19, M, SARS-CoV-2, Vanadium, Vanadate, Consensus, Docking, Autodock metal parameters, PTP1B
Journal
INORGANICA CHIMICA ACTA
Volume 519, Issue -, Pages 120287
Publisher
Elsevier BV
Online
2021-02-11
DOI
10.1016/j.ica.2021.120287
References
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Note: Only part of the references are listed.- The epidemiology and pathogenesis of coronavirus disease (COVID-19) outbreak
- (2020) Hussin A. Rothan et al. JOURNAL OF AUTOIMMUNITY
- Development of epitope‐based peptide vaccine against novel coronavirus 2019 (SARS‐COV‐2): Immunoinformatics approach
- (2020) Manojit Bhattacharya et al. JOURNAL OF MEDICAL VIROLOGY
- Evolution of the novel coronavirus from the ongoing Wuhan outbreak and modeling of its spike protein for risk of human transmission
- (2020) Xintian Xu et al. Science China-Life Sciences
- The potentiality of vanadium in medicinal applications
- (2020) Dieter Rehder INORGANICA CHIMICA ACTA
- Cyclo-tetravanadate bridged copper complexes as potential double bullet pro-metallodrugs for cancer treatment
- (2020) Beatriz Martínez-Valencia et al. JOURNAL OF INORGANIC BIOCHEMISTRY
- Consider TLR5 for new therapeutic development against COVID‐19
- (2020) Chiranjib Chakraborty et al. JOURNAL OF MEDICAL VIROLOGY
- Genotype and phenotype of COVID-19: Their roles in pathogenesis
- (2020) Leila Mousavizadeh et al. JOURNAL OF MICROBIOLOGY IMMUNOLOGY AND INFECTION
- First-wave COVID-19 transmissibility and severity in China outside Hubei after control measures, and second-wave scenario planning: a modelling impact assessment
- (2020) Kathy Leung et al. LANCET
- Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
- (2020) Zhenming Jin et al. NATURE
- Making Sense of Mutation: What D614G Means for the COVID-19 Pandemic Remains Unclear
- (2020) Nathan D. Grubaugh et al. CELL
- COVID-19 Coronavirus spike protein analysis for synthetic vaccines, a peptidomimetic antagonist, and therapeutic drugs, and analysis of a proposed achilles’ heel conserved region to minimize probability of escape mutations and drug resistance
- (2020) B. Robson COMPUTERS IN BIOLOGY AND MEDICINE
- Initiation of a novel mode of membrane signaling: Vanadium facilitated signal transduction
- (2020) Nuttaporn Samart et al. COORDINATION CHEMISTRY REVIEWS
- Recent advance on PTP1B inhibitors and their biomedical applications
- (2020) Bigyan Sharma et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Design of nalidixic acid‑vanadium complex loaded into chitosan hybrid nanoparticles as smart strategy to inhibit bacterial growth and quorum sensing
- (2020) Bárbara Bueloni et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease − Inhibitor N3 Complex (PDB ID: 6LU7)
- (2020) Ryo Hatada et al. Journal of Chemical Information and Modeling
- Vanadium and insulin: Partners in metabolic regulation
- (2020) Samuel Treviño et al. JOURNAL OF INORGANIC BIOCHEMISTRY
- Anti-Inflammatory Properties of Drugs Used to Control COVID-19 and their Effects on the Renin-Angiotensin System and Angiotensin-Converting Enzyme-2
- (2020) Hamed Gilzad-Kohan et al. JOURNAL OF PHARMACY AND PHARMACEUTICAL SCIENCES
- Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 Mpro enzyme through in silico approach
- (2020) Arun Bahadur Gurung et al. LIFE SCIENCES
- Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography
- (2020) Daniel W. Kneller et al. Nature Communications
- The VEGA suite of programs: an versatile platform for cheminformatics and drug design projects
- (2020) Alessandro Pedretti et al. BIOINFORMATICS
- A dynamic simulation study of FDA drug from zinc database against COVID-19 main protease receptor
- (2020) Shalini Mathpal et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Five Novel Non-Sialic Acid-Like Scaffolds Inhibit In Vitro H1N1 and H5N2 Neuraminidase Activity of Influenza a Virus
- (2020) Luis Márquez-Domínguez et al. MOLECULES
- Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a Novel In Silico Method
- (2020) Milan Sencanski et al. MOLECULES
- Repurposing Drugs, Ongoing Vaccine, and New Therapeutic Development Initiatives Against COVID-19
- (2020) Rudra P. Saha et al. Frontiers in Pharmacology
- An in-silico evaluation of COVID-19 main protease with clinically approved drugs
- (2020) Wafa Tachoua et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design
- (2019) Paulo J. Costa et al. Expert Opinion on Drug Discovery
- Multi-modal Potentiation of Oncolytic Virotherapy by Vanadium Compounds
- (2018) Mohammed Selman et al. MOLECULAR THERAPY
- Vanadium in Biological Action: Chemical, Pharmacological Aspects, and Metabolic Implications in Diabetes Mellitus
- (2018) Samuel Treviño et al. BIOLOGICAL TRACE ELEMENT RESEARCH
- UCSF ChimeraX: Meeting modern challenges in visualization and analysis
- (2017) Thomas D. Goddard et al. PROTEIN SCIENCE
- Kinetics and DFT Studies of Photoredox Carbon–Carbon Bond Cleavage Reactions by Molecular Vanadium Catalysts under Ambient Conditions
- (2017) Sarifuddin Gazi et al. ACS Catalysis
- Computer Modeling of Halogen Bonds and Other σ-Hole Interactions
- (2016) Michal H. Kolář et al. CHEMICAL REVIEWS
- Why Antidiabetic Vanadium Complexes are Not in the Pipeline of “Big Pharma” Drug Research? A Critical Review
- (2016) Thomas Scior et al. CURRENT MEDICINAL CHEMISTRY
- In vitro and ex vivo vanadium antitumor activity in (TGF-β)-induced EMT. Synergistic activity with carboplatin and correlation with tumor metastasis in cancer patients
- (2016) Savvas Petanidis et al. INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY
- Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening
- (2016) Rodrigo Quiroga et al. PLoS One
- Vanadium and proteins: Uptake, transport, structure, activity and function
- (2015) João Costa Pessoa et al. COORDINATION CHEMISTRY REVIEWS
- Vanadium compounds in medicine
- (2015) Joao Costa Pessoa et al. COORDINATION CHEMISTRY REVIEWS
- X-Ray Fluorescence Microscopy Demonstrates Preferential Accumulation of a Vanadium-Based Magnetic Resonance Imaging Contrast Agent in Murine Colonic Tumors
- (2015) Devkumar Mustafi et al. Molecular Imaging
- The molecular details of WPD-loop movement differ in the protein-tyrosine phosphatases YopH and PTP1B
- (2012) Tiago A.S. Brandão et al. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
- Synthesis, characterization and urease inhibitory activity of oxovanadium(V) complexes with similar Schiff bases
- (2011) Zhong-Lu You et al. INORGANIC CHEMISTRY COMMUNICATIONS
- Syntheses, characterization, X-ray crystal structures and emission properties of five oxovanadium(V) complexes with pyridyl/pyrimidyl–pyrazole derived ditopic ligands
- (2011) Tarak Nath Mandal et al. POLYHEDRON
- Antineoplastic Activity of New Transition Metal Complexes of 6-Methylpyridine-2-carbaldehyde-N(4)-ethylthiosemicarbazone: X-Ray Crystal Structures of [VO2(mpETSC)] and [Pt(mpETSC)Cl]
- (2010) Shadia A. Elsayed et al. BIOINORGANIC CHEMISTRY AND APPLICATIONS
- A series of PDB related databases for everyday needs
- (2010) R. P. Joosten et al. NUCLEIC ACIDS RESEARCH
- Antidiabetic Bis-Maltolato-OxoVanadium(IV): Conversion of inactive trans- to bioactive cis-BMOV for possible binding to target PTP-1B
- (2010) Thomas Scior et al. Drug Design Development and Therapy
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
- (2009) Garrett M. Morris et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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