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Volume 8 Medicinal Chemistry
ISSN: 2161-0444 Medicinal Chemistry 2018
June 14-15, 2018
June 14-15, 2018 | Barcelona, Spain
10th World Congress on
Medicinal Chemistry and Drug Design
Obtention of minimum inhibitory concentration prediction equations for antibacterial quinolones
versus two gram-positive and two gram-negative pathogenic bacteria
Jose Ignacio Bueso-Bordils, Pedro Aleman-Lopez, Antonio Falcó Montesinos, Beatriz Suay-Garcia, Teresa Perez-Gracia, Luis Lahuerta Zamora, Rafael
V Martín-Algarra and Gerardo M Antón-Fos
CEU Cardenal Herrera University, Spain
The search for new molecules with therapeutic activity is a laborious process with an elevated economic cost. To find a
new therapeutic activity for a compound which is provided with pharmacological and toxicological information mean
an important saving of money and time which improves its pharmaceutical development as a new drug. Among the different
methods used for this purpose, molecular topology has showed to be a useful tool to find quantitative relationships between
chemical structure and activity. In this work, a multilinear regression analysis has been carried out in order to look for functions
capable of accurately predicting a series of biological properties of a group of quinolones, widely used nowadays because of their
broad spectrum activity, well tolerance profile and advantageous pharmacokinetic properties. In order to establish quantitative
relationships, it is necessary to numerically describe the chemical structure of compounds by means of topological indices. The
studied activities were minimum inhibitory concentration of 50 against Proteus vulgaris and Staphylococcus epidermidis; and
minimum inhibitory concentration of 90 against Clostridium perfringens and Haemophilus influenzae. The species targeted in
this study are very common human pathogens. Intercorrelation, Y-randomization and cross-validation by using leave-one-out
test were also performed in order to assess the stability and the prediction ability of the functions selected.
Biography
Jose Ignacio Bueso-Bordils has completed his PhD from CEU Cardenal Herrera University. He is an Associate Professor at CEU Cardenal Herrera University. He
has published three papers in reputed international journals, including European Journal of Medicinal Chemistry.
Jose Ignacio Bueso-Bordils et al., Med chem (Los Angeles) 2018, Volume 8
DOI: 10.4172/2161-0444-C1-040