EN
An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives
Abstract
Thymidine is a predecessor of nucleotides that forms DNA and plays a significant role in cell metabolism and as a co-enzyme. Most of the thymidine analogues have remarkable antiviral activity due to structural functions and are globally used as antiviral drugs. Modification of the hydroxyl (-OH) group of thymidine by acylation may causes changes in the property of thymidine which is investigated in this study. Herein, we relate the optimization of thymidine and its acylated analogues applying density functional theory (DFT) with B3LYP/3-21G level theory to demonstrate their thermal, frontier molecular orbital, the density of states (DOS) and molecular electrostatic potential (MEP) properties. Pharmacokinetic parameters are also enumerated to investigate absorption, metabolism, oral toxicity, and carcinogenicity of thymidine and its modified derivatives.
Keywords
Supporting Institution
University of Chittagong
Thanks
Please take necessary steps to publish our manuscript to the TC&TC
References
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Details
Primary Language
English
Subjects
Chemical Engineering
Journal Section
Research Article
Publication Date
December 15, 2020
Submission Date
April 12, 2020
Acceptance Date
June 7, 2020
Published in Issue
Year 2020 Volume: 4 Number: 2
APA
Kawsar, S. M. A., & Hossain, M. A. (2020). An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives. Turkish Computational and Theoretical Chemistry, 4(2), 59-66. https://doi.org/10.33435/tcandtc.718807
AMA
1.Kawsar SMA, Hossain MA. An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives. Turkish Comp Theo Chem (TC&TC). 2020;4(2):59-66. doi:10.33435/tcandtc.718807
Chicago
Kawsar, Sarkar M. A., and Mohammed Anowar Hossain. 2020. “An Optimization and Pharmacokinetic Studies of Some Thymidine Derivatives”. Turkish Computational and Theoretical Chemistry 4 (2): 59-66. https://doi.org/10.33435/tcandtc.718807.
EndNote
Kawsar SMA, Hossain MA (December 1, 2020) An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives. Turkish Computational and Theoretical Chemistry 4 2 59–66.
IEEE
[1]S. M. A. Kawsar and M. A. Hossain, “An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives”, Turkish Comp Theo Chem (TC&TC), vol. 4, no. 2, pp. 59–66, Dec. 2020, doi: 10.33435/tcandtc.718807.
ISNAD
Kawsar, Sarkar M. A. - Hossain, Mohammed Anowar. “An Optimization and Pharmacokinetic Studies of Some Thymidine Derivatives”. Turkish Computational and Theoretical Chemistry 4/2 (December 1, 2020): 59-66. https://doi.org/10.33435/tcandtc.718807.
JAMA
1.Kawsar SMA, Hossain MA. An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives. Turkish Comp Theo Chem (TC&TC). 2020;4:59–66.
MLA
Kawsar, Sarkar M. A., and Mohammed Anowar Hossain. “An Optimization and Pharmacokinetic Studies of Some Thymidine Derivatives”. Turkish Computational and Theoretical Chemistry, vol. 4, no. 2, Dec. 2020, pp. 59-66, doi:10.33435/tcandtc.718807.
Vancouver
1.Sarkar M. A. Kawsar, Mohammed Anowar Hossain. An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives. Turkish Comp Theo Chem (TC&TC). 2020 Dec. 1;4(2):59-66. doi:10.33435/tcandtc.718807
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