Development of a Fingerprint-Based Scoring Function for the Prediction of the Binding Mode of Carbonic Anhydrase II Inhibitors. (Q64970462)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29937490 AND SRC:MED&resulttype=core&format=json

2 April 2020

title

Development of a Fingerprint-Based Scoring Function for the Prediction of the Binding Mode of Carbonic Anhydrase II Inhibitors (English)

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29937490 AND SRC:MED&resulttype=core&format=json

2 April 2020

1

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29937490 AND SRC:MED&resulttype=core&format=json

2 April 2020

Adriano Martinelli

3

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2 April 2020

Claudiu T Supuran

4

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29937490 AND SRC:MED&resulttype=core&format=json

2 April 2020

Tiziano Tuccinardi

5

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29937490 AND SRC:MED&resulttype=core&format=json

2 April 2020

Vibhu Jha

2

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29937490 AND SRC:MED&resulttype=core&format=json

2 April 2020

2

Vibhu Jha

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http://europepmc.org/abstract/PMC/6073570

2 July 2019

language of work or name

English

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publication date

23 June 2018

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International Journal of Molecular Sciences

2 April 2020

published in

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2 April 2020

volume

19

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2 April 2020

issue

7

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Creative Commons Attribution 4.0 International

2 April 2020

copyright license

start time

23 June 2018

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April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

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12 December 2020

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Improved protein-ligand docking using GOLD

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Optimizing fragment and scaffold docking by use of molecular interaction fingerprints

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12 December 2020

Analysis of Human Carbonic Anhydrase II: Docking Reliability and Receptor-Based 3D-QSAR Study

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12 December 2020

Carbonic anhydrase II in the endothelium of glial tumors: a potential target for therapy

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Graphical analysis of pH-dependent properties of proteins predicted using PROPKA.

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BINANA: a novel algorithm for ligand-binding characterization

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Carbonic anhydrases: from biomedical applications of the inhibitors and activators to biotechnological use for CO(2) capture

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12 December 2020

Exploiting the hydrophobic and hydrophilic binding sites for designing carbonic anhydrase inhibitors

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12 December 2020

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Identification and characterization of a new reversible MAGL inhibitor

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AutoDock4(Zn): an improved AutoDock force field for small-molecule docking to zinc metalloproteins

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Structural protein-ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark study

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Extensive consensus docking evaluation for ligand pose prediction and virtual screening studies

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12 December 2020

Application of a FLAP-consensus docking mixed strategy for the identification of new fatty acid amide hydrolase inhibitors.

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12 December 2020

Probing the 'bipolar' nature of the carbonic anhydrase active site: aromatic sulfonamides containing 1,3-oxazol-5-yl moiety as picomolar inhibitors of cytosolic CA I and CA II isoforms

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12 December 2020

Identification of a new STAT3 dimerization inhibitor through a pharmacophore-based virtual screening approach

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12 December 2020

PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design.

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12 December 2020

Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies.

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12 December 2020

Structure and function of carbonic anhydrases

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12 December 2020

Biochemical characterization of the native α-carbonic anhydrase purified from the mantle of the Mediterranean mussel, Mytilus galloprovincialis

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12 December 2020

Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints

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12 December 2020

Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer a

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12 December 2020

Synthesis of novel 4-functionalized 1,5-diaryl-1,2,3-triazoles containing benzenesulfonamide moiety as carbonic anhydrase I, II, IV and IX inhibitors

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12 December 2020

Identifiers

DOI

10.3390/IJMS19071851

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29937490 AND SRC:MED&resulttype=core&format=json

2 April 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29937490 AND SRC:MED&resulttype=core&format=json

2 April 2020

PubMed publication ID

29937490

1 reference