Date of Award
2000
Document Type
Honors Thesis (Open Access)
Department
Colby College. Chemistry Dept.
Advisor(s)
Thomas W. Shattuck
Second Advisor
Stephen Dunham
Third Advisor
Dasan Thamattoor
Abstract
Nizatidine, N-[2-[[[2-[(dimethylamino)methyl]-4-thiazoly]]methy1]thio]ethyl]-N'- methyl- 2-nitro-I,l, ethenediamine, has been investigated for its potential to act as a host to small molecules through hydrogen bonding and pi-pi interactions. In previous work, pyridoxine (vitamin B6) was hypothesized to have a high guest-host binding constant with nizatidine. This was supported through experimental methods involving one and two dimensional NMR spectroscopy, UV-visible spectroscopy, and high performance liquid chromatography. Computer aided molecular design and three dimensional conformationally flexible database searching led to the discovery of other possible guests, including albuterol, which has exhibited even higher binding constants from HPLC.
Keywords
Nizatidine, Molecular structure -- Data processing, Intermolecular forces -- Data processing, Computer-aided design
Recommended Citation
Mordas, Carolyn J., "Determination of nizatidine-guest complexation constants and computer aided molecular design" (2000). Honors Theses. Paper 171.https://digitalcommons.colby.edu/honorstheses/171
Copyright
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