PASS APPLICATION IN R&D OF NEW PHARMACEUTICALS

Authors

  • Ankit Extension Lecturer, G.C Julana
  • Praveen Malik Research Scholar, DCRUST, Murthal

Keywords:

computer programs, necessary, Experimental testing, time-consuming

Abstract

A systematic approach through computer assisted design to identify novel pharmaceutical for research and development has been discussed in the present paper. There are dozen thousands chemicals in use today and many more being synthesized. It is necessary to have the efficient methods for assessment of action of these compounds in the environment and human health. Experimental testing is both time-consuming and expensive. Thus, there is a pressing requirement for accurate in silico methods to predict the carcinogenicity. In this investigation, we studied how accuracy of rodent carcinogens estimation may be improved by using two different computer programs on the basis of their structural formulae.

References

Anzali S., Barnickel G., Cezanne B., Krug M., Filimonov D., Poroikov V. (2001). Discriminating between drugs and nondrugs by Prediction of Activity Spectra for Substances (PASS). J. Med. Chem., 44 (15), 2432-2437.

Filimonov D., Poroikov V., Borodina Yu., Gloriozova T. (1999). Chemical Similarity Assessment through multilevel neighborhoods of atoms: definition and comparison with the other descriptors. J.Chem.Inf.Comput. Sci., 39 (4), p.666-670.

Geronikaki A., Babaev E., Dearden J., Dehaen W., Filimonov D., Galaeva I., Krajneva V., Lagunin A., Macaev F., Molodavkin G., Poroikov V., Saloutin V., Stepanchikova A., Voronina T. (2004). Design of new anxiolytics: from computer prediction to synthesis and biological evaluation. Bioorg. Med. Chem., 12 (24), 6559-6568.

Geronikaki A., Dearden J., Filimonov D., Galaeva I., Garibova T., Gloriozova T., Krajneva V., Lagunin A., Macaev F., Molodavkin G., Poroikov V., Pogrebnoi S., Shepeli F., Voronina T., Tsitlakidou M., Vlad L. (2004). Design of new cognition enhancers: from computer prediction to synthesis and biological evaluation. J. Med. Chem., 47 (11), 2870-2876.

Downloads

Published

30-09-2016

How to Cite

Ankit, & Praveen Malik. (2016). PASS APPLICATION IN R&D OF NEW PHARMACEUTICALS. International Journal for Research Publication and Seminar, 7(5), 11–14. Retrieved from https://jrps.shodhsagar.com/index.php/j/article/view/853

Issue

Vol. 7 No. 5 (2016): July - Sept 2016

Section

Original Research Article

License

Copyright (c) 2016 International Journal for Research Publication and Seminar

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

Re-users must give appropriate credit, provide a link to the license, and indicate if changes were made. You may do so in any reasonable manner, but not in any way that suggests the licensor endorses you or your use. This license allows for redistribution, commercial and non-commercial, as long as the original work is properly credited.