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Computer Aided Drug Design Using Virtual Screening and Molecular Energy Calculation of a specific Neurodegenerative Diseases

Publication Type : Journal Article

Publisher : International Journal of Engineering and Technology (UAE), Science Publishing Corporation Inc,

Source : International Journal of Engineering and Technology (UAE), Science Publishing Corporation Inc, Volume 7, Issue 1, p.141 - 144 (2018)

Url : https://www.scopus.com/record/display.uri?eid=2-s2.0-85042754489&origin=resultslist

Keywords : Computer aided drug design, Molecular energy calculation, Neurodegenerative diseases, virtual screening

Campus : Mysuru

School : School of Arts and Sciences

Department : Computer Science

Year : 2018

Abstract : Computer-aided drug design (CADD) is designing a drug with the help of computational algorithms. Information technology advances to creates the structure of molecules, molecular modeling and calculate the binding energies of the drug to initiate a new medicine against neurodegenerative diseases. In our work, we implemented virtual screening of a drug-protein interaction is selected from drug data bank with potential drug bank inhibitory activity for a specific neurodegenerative disease. Here we analyze technical CADD studies of the neurodegenerative diseases. Finally selecting the best alkaloid for a specific neurodegenerative disease and predicting the efficiency us-ing computation of alkaloid with molecular energy. © 2018 Bipin Nair B J, Akshay Rajendran.

Cite this Research Publication : Bipin Nair B. J. and Rajendran, A., “Computer aided drug design using virtual screening and molecular energy calculation of a specific neurodegenerative diseases”, International Journal of Engineering and Technology (UAE), vol. 7, no. 1, pp. 141 - 144, 2018.

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