Current Pharmaceutical Design of Antituberculosis Drugs: Future Perspectives

Abstract

The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldwide scientific community. In an attempt to overcome this problem computer-aided drug design has provide an extraordinary support to the different strategies in drug discovery. There are around 250 biological receptors like enzymes that can be used in principle, for the design of antituberculosis compounds that act by a specific mechanism of action. Also, there more than 5000 compound available in the literature, and that constitute important information in order to search new molecular patterns for the design of new antituberculosis agents. The purpose of this paper is to explored the current state of drug discovery of antituberculosis agents and how the different strategies supported by computer-aided drug design methods has influenced in a determinant way in the design of new molecular entities that can result the future antituberculosis drugs.

In vitro anti-mycobacterial activity of nine medicinal plants used by ethnic groups in Sonora, Mexico

“…According to the new 2012 WHO report on surveillance and response to MDR-TB and XDR-TB, an estimate of 310 000 (range, 232 000–400 000) MDR-TB cases occurred among recorded pulmonary TB patients in 2011, with 84 countries reporting at least one case of XDR-TB [3]. This emphasizes the need to search for new drugs against tuberculosis [6,7]. …”

Conotoxins: Review and Docking Studies to determine potentials of Conotoxin as an Anticancer Drug Molecule

“…Some recent issues guestedited by González-Díaz et al review many of these techniques. See for instance, papers published in Current Topics in Medicinal Chemistry in 2008 [14][15][16][17][18][19][20][21][22][23], Current Proteomics in 2009, and Current Drug Metabolism [24][25][26][27][28][29][30][31] or Current Pharmaceutical Design in 2010 [32][33][34][35][36][37][38][39][40]. In this work we review computational chemistry and bioinformatics methods used to study an interesting class of peptides called conotoxins, and their possible interaction with HERG channels.…”

Multi-targeted therapy for leprosy: Insilico strategy to overcome multi drug resistance and to improve therapeutic efficacy

“…Some optional gateways on this direction are: (1) the use of multi-target Quantitative Structure-Activity Relationship (mt-QSAR) models without considering target structure (Prado-Prado et al, 2009bSpeck-Planche et al, 2010Marzaro et al, 2011;García et al, 2011), (2) using mt-QSAR models considering both durg and target structure (González-Díaz et al, 2011a,b;Concu et al, 2010), or use drug-target complex networks Prado-Prado et al, 2008, 2009aViña et al, 2009;Rask-Andersen et al, 2011;Achenbach et al, 2011;Nussinov et al, 2011). Another alternative, without rely upon mt-QSAR or Systems biology methods is the use of drug-target docking strategies, but involving multiple targets as follows.…”