Published

2012-09-01

Generation of pharmacophores and classification of drugs using protein-ligand complexes

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Authors

  • Eliana Velasquez Universidad Nacional de Colombia
  • Neil Vasquez Universidad Nacional de Colombia
  • Pablo Gutierrez Universidad Nacional de Colombia

Pharmacophore identification is a very
important step in de novo design, lead
optimization, chemogenomics, and virtual
screening of drugs. Unfortunately,
the high cost of comercial software for
pharmacophore detection is a common
limiting factor for researchers with limited
funding. This paper presents a set of
freely available perl routines that were
designed to help in the process of 3D
pharmacophore identification and QSAR
studies. These routines also allowed the
classification of ligands based on their
tridimensional similarity and binding
mechanism. The family of phosphodiesterases
and their inhibitors were used as
test model.

How to Cite

IEEE

[1]
E. Velasquez, N. Vasquez, and P. Gutierrez, “Generation of pharmacophores and classification of drugs using protein-ligand complexes”, Rev. Colomb. Quim., vol. 41, no. 3, pp. 337–348, Sep. 2012.

ACM

[1]
Velasquez, E., Vasquez, N. and Gutierrez, P. 2012. Generation of pharmacophores and classification of drugs using protein-ligand complexes. Revista Colombiana de Química. 41, 3 (Sep. 2012), 337–348.

ACS

(1)
Velasquez, E.; Vasquez, N.; Gutierrez, P. Generation of pharmacophores and classification of drugs using protein-ligand complexes. Rev. Colomb. Quim. 2012, 41, 337-348.

APA

Velasquez, E., Vasquez, N. and Gutierrez, P. (2012). Generation of pharmacophores and classification of drugs using protein-ligand complexes. Revista Colombiana de Química, 41(3), 337–348. https://revistas.unal.edu.co/index.php/rcolquim/article/view/42898

ABNT

VELASQUEZ, E.; VASQUEZ, N.; GUTIERREZ, P. Generation of pharmacophores and classification of drugs using protein-ligand complexes. Revista Colombiana de Química, [S. l.], v. 41, n. 3, p. 337–348, 2012. Disponível em: https://revistas.unal.edu.co/index.php/rcolquim/article/view/42898. Acesso em: 20 jan. 2025.

Chicago

Velasquez, Eliana, Neil Vasquez, and Pablo Gutierrez. 2012. “Generation of pharmacophores and classification of drugs using protein-ligand complexes”. Revista Colombiana De Química 41 (3):337-48. https://revistas.unal.edu.co/index.php/rcolquim/article/view/42898.

Harvard

Velasquez, E., Vasquez, N. and Gutierrez, P. (2012) “Generation of pharmacophores and classification of drugs using protein-ligand complexes”, Revista Colombiana de Química, 41(3), pp. 337–348. Available at: https://revistas.unal.edu.co/index.php/rcolquim/article/view/42898 (Accessed: 20 January 2025).

MLA

Velasquez, E., N. Vasquez, and P. Gutierrez. “Generation of pharmacophores and classification of drugs using protein-ligand complexes”. Revista Colombiana de Química, vol. 41, no. 3, Sept. 2012, pp. 337-48, https://revistas.unal.edu.co/index.php/rcolquim/article/view/42898.

Turabian

Velasquez, Eliana, Neil Vasquez, and Pablo Gutierrez. “Generation of pharmacophores and classification of drugs using protein-ligand complexes”. Revista Colombiana de Química 41, no. 3 (September 1, 2012): 337–348. Accessed January 20, 2025. https://revistas.unal.edu.co/index.php/rcolquim/article/view/42898.

Vancouver

1.
Velasquez E, Vasquez N, Gutierrez P. Generation of pharmacophores and classification of drugs using protein-ligand complexes. Rev. Colomb. Quim. [Internet]. 2012 Sep. 1 [cited 2025 Jan. 20];41(3):337-48. Available from: https://revistas.unal.edu.co/index.php/rcolquim/article/view/42898

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