(Q45353613)

13 December 2017

title

Design of novel antituberculosis compounds using graph-theoretical and substructural approaches (English)

1 reference

13 December 2017

6

1 reference

13 December 2017

author name string

Alejandro Speck Planche

1

1 reference

13 December 2017

Marcus Tulius Scotti

2

1 reference

13 December 2017

América García López

3

1 reference

13 December 2017

Vicente de Paulo Emerenciano

4

1 reference

13 December 2017

Enrique Molina Pérez

5

1 reference

13 December 2017

publication date

2 April 2009

1 reference

13 December 2017

1 reference

13 December 2017

volume

13

1 reference

13 December 2017

issue

4

1 reference

13 December 2017

page(s)

445-458

1 reference

https://scigraph.springernature.com/pub.10.1007/s11030-009-9129-9

13 December 2017

exact match

0 references

cites work

Drug-resistant tuberculosis: review of the worldwide situation and the WHO/IUATLD Global Surveillance Project. International Union Against Tuberculosis and Lung Disease

1 reference

https://api.crossref.org/works/10.1007%2FS11030-009-9129-9

Recent advances on the role of topological indices in drug discovery research.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11030-009-9129-9

The E-state as the basis for molecular structure space definition and structure similarity

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11030-009-9129-9

Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11030-009-9129-9

Can 3D structural parameters be predicted from 2D (topological) molecular descriptors?

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11030-009-9129-9

In silico studies toward the discovery of new anti-HIV nucleoside compounds with the use of TOPS-MODE and 2D/3D connectivity indices. 1. Pyrimidyl derivatives.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11030-009-9129-9

The meaning and use of the area under a receiver operating characteristic (ROC) curve

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11030-009-9129-9

Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11030-009-9129-9

Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 1. Theory of the Novel 3D Molecular Descriptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11030-009-9129-9

Quantitative structure-toxicity relationships using TOPS-MODE. 2. Neurotoxicity of a non-congeneric series of solvents.

21 January 2018

1 reference

12 December 2020

Molecular topology: a useful tool for the search of new antibacterials

1 reference

12 December 2020

Structural diversities of active site in clinical azole-bound forms between sterol 14alpha-demethylases (CYP51s) from human and Mycobacterium tuberculosis.

1 reference

12 December 2020

Sugar binding in lactose permease: anomeric state of a disaccharide influences binding structure

1 reference

12 December 2020

Quantitative structure--toxicity relationships using TOPS-MODE. 1. Nitrobenzene toxicity to Tetrahymena pyriformis

1 reference

12 December 2020

Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps

1 reference

12 December 2020

Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening

1 reference

12 December 2020

Synthesis and quantitative structure--activity relationships of some antibacterial 3-formylrifamycin SV N-(4-substituted phenyl)piperazinoacethydrazones

1 reference

12 December 2020

Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs

1 reference

12 December 2020

Derivation and significance of valence molecular connectivity

1 reference

12 December 2020

A novel approach for the virtual screening and rational design of anticancer compounds.

1 reference

12 December 2020

A novel non-stochastic quadratic fingerprints-based approach for the ‘in silico’ discovery of new antitrypanosomal compounds

1 reference

12 December 2020

Antibacterial activity of synthesized 2,4,5-trisubstituted imidazole derivatives

1 reference

12 December 2020

Prediction of halocarbon toxicity from structure: a hierarchical QSAR approach.

1 reference

12 December 2020

Modeling chromatographic parameters by a novel graph theoretical sub-structural approach.

1 reference

12 December 2020

Computational Analysis of the Mechanism and Thermodynamics of Inhibition of Phosphodiesterase 5A by Synthetic Ligands

1 reference

12 December 2020

Free energy simulations of uncatalyzed DNA replication fidelity: structure and stability of T.G and dTTP.G terminal DNA mismatches flanked by a single dangling nucleotide

1 reference

12 December 2020

Rational design of new antituberculosis agents: receptor-independent four-dimensional quantitative structure-activity relationship analysis of a set of isoniazid derivatives

1 reference

12 December 2020

GETAWAY descriptors to predicting A(2A) adenosine receptors agonists

1 reference

12 December 2020

Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach

1 reference

12 December 2020

In vitro advanced antimycobacterial screening of isoniazid-related hydrazones, hydrazides and cyanoboranes: part 14.

1 reference

12 December 2020

Quantitative structure-activity relationships. 2. A mixed approach, based on Hansch and Free-Wilson Analysis

1 reference

12 December 2020

The connectivity index 25 years after

1 reference

12 December 2020

Unify QSAR approach to antimicrobials. Part 1: predicting antifungal activity against different species.

1 reference

12 December 2020

A topological substructural approach for the prediction of P-glycoprotein substrates

1 reference

12 December 2020

Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds

1 reference

12 December 2020

1 reference

12 December 2020

Crystal structure of cytochrome P450 14 -sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with azole inhibitors

1 reference

12 December 2020

Novel local (fragment-based) topological molecular descriptors for QSpr/QSAR and molecular design.

1 reference

12 December 2020

Search of chemical scaffolds for novel antituberculosis agents

1 reference

12 December 2020

In silico studies for the rational discovery of anticonvulsant compounds

1 reference

12 December 2020

Crystal structure of a major secreted protein of Mycobacterium tuberculosis-MPT63 at 1.5-Å resolution

1 reference

12 December 2020

Virtual generation of agents against Mycobacterium tuberculosis. A QSAR study

1 reference

12 December 2020

Antimycobacterial pyrroles: synthesis, anti-Mycobacterium tuberculosis activity and QSAR studies.

1 reference

12 December 2020

Unified QSAR approach to antimicrobials. Part 2: predicting activity against more than 90 different species in order to halt antibacterial resistance.

1 reference

12 December 2020

A small-molecule nitroimidazopyran drug candidate for the treatment of tuberculosis

1 reference

12 December 2020

Synthesis and QSAR studies of 4-substituted phenyl-2,6-dimethyl-3, 5-bis-N-(substituted phenyl)carbamoyl-1,4-dihydropyridines as potential antitubercular agents

1 reference

12 December 2020

Quantitative structure-activity relationships. 1. The modified Free-Wilson approach

1 reference

12 December 2020

Inhibitors of FabI, an enzyme drug target in the bacterial fatty acid biosynthesis pathway

1 reference

12 December 2020

New tuberculosis therapeutics: a growing pipeline

1 reference

12 December 2020

Naturally occurring and synthetic imidazoles: their chemistry and their biological activities

1 reference

12 December 2020

Modeling diamagnetic and magnetooptic properties of organic compounds with the TOSS-MODE approach

1 reference

12 December 2020

TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides

1 reference

12 December 2020

Antimycobacterial activity of 1-deaza-7,8-dihydropteridine derivatives against Mycobacterium tuberculosis and Mycobacterium avium complex in vitro

1 reference

12 December 2020

Synthesis and characterization of novel hydrazide-hydrazones and the study of their structure-antituberculosis activity

1 reference

12 December 2020

Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of ...

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00063A006

10.1007/S11030-009-9129-9

12 September 2021

Identifiers

DOI

1 reference

Dimensions Publication ID

13 December 2017

1016558095

0 references

1 reference