Literature DB >> 12873497

Search compounds with antimicrobial activity by applying molecular topology to selected quinolones.

S Mut-Ronda1, M T Salabert-Salvador, M J Duart, G M Antón-Fos.   

Abstract

Molecular topology was used to obtain substances with antimicrobial activity. Selected quinolones were employed to develop the corresponding connectivity functions and discriminant equation. Limiting functions were selected that allowed the discriminant function to more efficiently distinguish substances with and without antibacterial activity. Antibacterial tests were run to confirm the theoretically established activity.

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Year:  2003        PMID: 12873497     DOI: 10.1016/s0960-894x(03)00544-4

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN: 0960-894X            Impact factor:   2.823


  1 in total

1.  Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design III: 2.5D indices for the discovery of antibacterials.

Authors:  Humberto González-Díaz; Luis A Torres-Gómez; Yaima Guevara; Manuel S Almeida; Reinaldo Molina; Nilo Castañedo; Lourdes Santana; Eugenio Uriarte
Journal:  J Mol Model       Date:  2005-02-19       Impact factor: 1.810

  1 in total

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