(Q39216411)

10 September 2017

Integrated Computational Approach for Virtual Hit Identification against Ebola Viral Proteins VP35 and VP40. (English)

1 reference

10 September 2017

Orthoebolavirus zairense

0 references

computational biology

1 reference

Muhammad Usman Mirza

1

0 references

author name string

Nazia Ikram

series ordinal

2

1 reference

PMC publication ID

5133775

10 September 2017

language of work or name

English

0 references

publication date

26 October 2016

1 reference

International Journal of Molecular Sciences

10 September 2017

1 reference

10 September 2017

17

1 reference

10 September 2017

11

1 reference

Creative Commons Attribution 4.0 International

10 September 2017

start time

26 October 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Virtual screening of the inhibitors targeting at the viral protein 40 of Ebola virus

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10 September 2017

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Flavonoids as Multi-target Inhibitors for Proteins Associated with Ebola Virus: In Silico Discovery Using Virtual Screening and Molecular Docking Studies.

10 September 2017

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10 September 2017

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Molecular docking based screening of predicted potential inhibitors for VP40 from Ebola virus

10 September 2017

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Antiviral therapies against Ebola and other emerging viral diseases using existing medicines that block virus entry

10 September 2017

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A screen of approved drugs and molecular probes identifies therapeutics with anti-Ebola virus activity

10 September 2017

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Identification of 53 compounds that block Ebola virus-like particle entry via a repurposing screen of approved drugs

10 September 2017

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Single-dose attenuated Vesiculovax vaccines protect primates against Ebola Makona virus

10 September 2017

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Pharmacoinformatics approach for investigation of alternative potential hepatitis C virus nonstructural protein 5B inhibitors.

10 September 2017

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Pre-symptomatic diagnosis and treatment of filovirus diseases

10 September 2017

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Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection

10 September 2017

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Small molecules with antiviral activity against the Ebola virus

10 September 2017

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Small molecule inhibitors of ebola virus infection

10 September 2017

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Ebola virus outbreak 2014: clinical review for emergency physicians

10 September 2017

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Ebola virus disease: a review on epidemiology, symptoms, treatment and pathogenesis.

10 September 2017

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Genomic surveillance elucidates Ebola virus origin and transmission during the 2014 outbreak

10 September 2017

1 reference

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Reversion of advanced Ebola virus disease in nonhuman primates with ZMapp

10 September 2017

1 reference

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Outbreak of ebola virus disease in Guinea: where ecology meets economy

10 September 2017

1 reference

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Lead- and drug-like compounds: the rule-of-five revolution

10 September 2017

1 reference

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The 2014 Ebola virus disease outbreak in West Africa

10 September 2017

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In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Structural Rearrangement of Ebola Virus VP40 Begets Multiple Functions in the Virus Life Cycle

10 September 2017

1 reference

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FDA-approved selective estrogen receptor modulators inhibit Ebola virus infection.

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

The Ebola virus matrix protein deeply penetrates the plasma membrane: an important step in viral egress

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

A systematic screen of FDA-approved drugs for inhibitors of biological threat agents

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Colloidal aggregation causes inhibition of G protein-coupled receptors

10 September 2017

1 reference

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Fibrils colocalize caspase-3 with procaspase-3 to foster maturation

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Recognizing pitfalls in virtual screening: a critical review

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Toward in silico structure-based ADMET prediction in drug discovery.

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

DRBP76 associates with Ebola virus VP35 and suppresses viral polymerase function

10 September 2017

1 reference

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Open Babel: An open chemical toolbox

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Managing the challenge of chemically reactive metabolites in drug development.

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse

10 September 2017

1 reference

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Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Mutations Abrogating VP35 Interaction with Double-Stranded RNA Render Ebola Virus Avirulent in Guinea Pigs

10 September 2017

1 reference

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Small-molecule activators of a proenzyme

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Ebola virus VP35 antagonizes PKR activity through its C-terminal interferon inhibitory domain

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

10 September 2017

1 reference

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T-705 (favipiravir) and related compounds: Novel broad-spectrum inhibitors of RNA viral infections.

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Promiscuous aggregate-based inhibitors promote enzyme unfolding

10 September 2017

1 reference

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Jalview Version 2--a multiple sequence alignment editor and analysis workbench

10 September 2017

1 reference

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Newly discovered ebola virus associated with hemorrhagic fever outbreak in Uganda

10 September 2017

1 reference

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Physiochemical drug properties associated with in vivo toxicological outcomes

10 September 2017

1 reference

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Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase

10 September 2017

1 reference

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Community benchmarks for virtual screening

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

The Ebola virus VP35 protein is a suppressor of RNA silencing

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

VP35 knockdown inhibits Ebola virus amplification and protects against lethal infection in mice

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

On evaluating molecular-docking methods for pose prediction and enrichment factors

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

MUSCLE: multiple sequence alignment with high accuracy and high throughput

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Prediction of aqueous solubility of a diverse set of compounds using quantitative structure-property relationships

10 September 2017

1 reference

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Use of robust classification techniques for the prediction of human cytochrome P450 2D6 inhibition

10 September 2017

1 reference

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A Current Review of Ebola Virus: Pathogenesis, Clinical Presentation, and Diagnostic Assessment

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

The matrix protein VP40 from Ebola virus octamerizes into pore-like structures with specific RNA binding properties

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Nonleadlikeness and leadlikeness in biochemical screening

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Lipid raft microdomains: a gateway for compartmentalized trafficking of Ebola and Marburg viruses

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Vaccine potential of Ebola virus VP24, VP30, VP35, and VP40 proteins

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Ebola virus VP40-induced particle formation and association with the lipid bilayer

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

The Ebola virus VP35 protein functions as a type I IFN antagonist.

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Crystal structure of the matrix protein VP40 from Ebola virus

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

10 September 2017

The Protein Data Bank

1 reference

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Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Differentiation of filoviruses by electron microscopy

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Comparative protein modelling by satisfaction of spatial restraints

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Lipid solubility and drug penetration of the blood brain barrier

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Inhibition of Lassa virus and Ebola virus infection in host cells treated with the kinase inhibitors genistein and tyrphostin

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Herbal Lead as Ideal Bioactive Compounds Against Probable Drug Targets of Ebola Virus in Comparison with Known Chemical Analogue: A Computational Drug Discovery Perspective

10 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Virology. Mutation rate and genotype variation of Ebola virus from Mali case sequences

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

A common feature pharmacophore for FDA-approved drugs inhibiting the Ebola virus.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Transmission dynamics and control of Ebola virus disease outbreak in Nigeria, July to September 2014.

14 September 2017

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

14 September 2017

https://api.crossref.org/works/10.3390%2FIJMS17111748

Analysis of Ebola virus and VLP release using an immunocapture assay.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Identification of the Ebola virus glycoprotein as the main viral determinant of vascular cell cytotoxicity and injury

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Ligand docking and binding site analysis with PyMOL and Autodock/Vina

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

A detergent-based assay for the detection of promiscuous inhibitors

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Kinase inhibitors: not just for kinases anymore

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

The Recognition of Identical Ligands by Unrelated Proteins

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

Molecular modeling of potential anticancer agents from African medicinal plants

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5133775

PubChem: Integrated Platform of Small Molecules and Biological Activities

21 August 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS17111748

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS17111748

Rate-limited steps of human oral absorption and QSAR studies

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS17111748

Lipid Solubility and Drug Penetration of the Blood Brain Barrier

21 January 2018

1 reference

https://api.crossref.org/works/10.3390%2FIJMS17111748

Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4

21 January 2018

1 reference

12 December 2020

DSX: a knowledge-based scoring function for the assessment of protein-ligand complexes

1 reference

12 December 2020

Reaction site mapping of xenobiotic biotransformations

1 reference

12 December 2020

Prediction of drug absorption using multivariate statistics

1 reference

12 December 2020

Flavonoids as multi-target inhibitors for proteins associated with Ebola virus: in-silico discovery using virtual screening and molecular docking studies.

1 reference

12 December 2020

Identifiers

0 references

1 reference

PMC publication ID

5133775

10 September 2017

PubMed publication ID

27792169

1 reference

PMC publication ID

5133775