New potential antihistaminic compounds. Virtual combinatorial chemistry, computational screening, real synthesis, and pharmacological evaluation |
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Authors: | Duart María J Antón-Fos Gerardo M Alemán Pedro A Gay-Roig Joan B González-Rosende María E Gálvez Jorge García-Domenech Ramón |
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Affiliation: | Departamento de Ingenieria, División Farmacia y Tecnología Farmacéutica, Universidad Miguel Hernández, Alicante, Spain. |
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Abstract: | To study the utility of the virtual combinatorial chemistry coupled with computational screening, a library of amine and urea derivatives was designed by virtual combinatorial synthesis and eventually computationally screened by a mathematical topological model as antihistaminic compounds. The results reveal that virtual combinatorial synthesis and virtual screening together with molecular topology are a powerful tool in the design of new drugs. |
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