Literature DB >> 11204750

Building a pharmacophore model for a novel class of antitubercular compounds.

F Manetti1, F Corelli, M Biava, R Fioravanti, G C Porretta, M Botta.   

Abstract

Starting from a set of 32 antitubercular compounds, for the first time a three-dimensional pharmacophore model has been derived through a computational approach based on CATALYST software. The model proved to be able to identify compounds belonging to classes of molecules already reported as antitubercular agents.

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Year:  2000        PMID： 11204750     DOI： 10.1016/s0014-827x(00)00072-0

Source DB:  PubMed          Journal:  Farmaco        ISSN： 0014-827X


  3 in total

1.  CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, Isoniazid and Pyrazinamide.

Authors:  Alejandra Favila; Marco Gallo; Daniel Glossman-Mitnik
Journal:  J Mol Model       Date:  2007-01-27       Impact factor: 1.810

2.  Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: generation of predictive pharmacophore model using catalyst.

Authors:  Madhu Chopra; Ruby Gupta; Swati Gupta; Daman Saluja
Journal:  J Mol Model       Date:  2008-07-30       Impact factor: 1.810

3.  Improving the Potency of N-Aryl-2,5-dimethylpyrroles against Multidrug-Resistant and Intracellular Mycobacteria.

Authors:  Meir Touitou; Fabrizio Manetti; Camila Maringolo Ribeiro; Fernando Rogerio Pavan; Nicolò Scalacci; Katarina Zrebna; Neelu Begum; Dorothy Semenya; Antima Gupta; Sanjib Bhakta; Timothy D McHugh; Hanoch Senderowitz; Melina Kyriazi; Daniele Castagnolo
Journal:  ACS Med Chem Lett       Date:  2019-12-10       Impact factor: 4.345
  3 in total

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