Article citationsMore>>
Warren, T.K., Jordan, R., Lo, M.K., Ray, A.S., Mackman, R.L., Soloveva, V., Siegel, D., Perron, M., Bannister, R., Hui, H.C., Larson, N., Strickley, R., Wells, J., Stuthman1, K.S., Van Tongeren1, S.A., Garza, N.L., Donnelly, G., Shurtleff, A.C., Retterer, C.J., Gharaibeh, D., Zamani, R., Kenny, T., Eaton1, B.P., Grimes, E., Welch, L.S., Gomba, L., Wilhelmsen, C.L., Nichols, D.K., Nuss, J.E., Nagle, E.R., Kugelman, J.R., Palacios, G., Doerffler, E., Neville, S., Carra, E., Clarke, M.O., Zhang, L., Lew, W., Ross, B., Wang, Q., Chun, K., Wolfe, L., Babusis, D., Park, Y., Stray, K.M., Trancheva, I., Feng, J.Y., Barauskas, O., Xu, Y., Wong, P., Braun, M.R., Flint, M., McMullan, L.K., Chen, S., Fearns, R., Swaminathan, S., Mayers, D.L., Spiropoulou, C.F., Lee, W.A., Nichol, S.T., Cihlar, T. and Bavari, S. (2016) Therapeutic Efficacy of the Small Molecule GS-5734 against Ebola Virus in Rhesus Monkeys. Nature, 531, 381-385.
https://doi.org/10.1038/nature17180
has been cited by the following article:
-
TITLE:
Character of Frontier Orbitals of Antiviral Drugs: Candidate Drugs against Covid-19
AUTHORS:
Yoshihiro Mizukami
KEYWORDS:
Covid-19, Antiviral Drugs, Frontier Orbitals, Ribonucleotides
JOURNAL NAME:
Open Journal of Physical Chemistry,
Vol.10 No.3,
August
3,
2020
ABSTRACT: We
performed density functional theory (DFT) calculations for ribonucleotides and
active triphosphate metabolites of candidate drugs against Coronavirus disease
2019 (Covid-19). Frontier orbitals (highest occupied molecular orbital and
lowest unoccupied molecular orbital)
at optimized structure of each molecule were obtained. T-705RTP (active triphosphate
metabolite of favipiravir) and cytidine triphosphate (CTP) have similar shapes
of frontier orbitals. We also obtained similar shapes of frontier orbitals
among dihydroxy GS-441524 triphosphate (GS-441524 is an active triphosphate
metabolite of remdesivir) and adenosine triphosphate (ATP). From a theoretical viewpoint, we suggest T-705RTP is a CTP analogue
and dihydroxy GS-441524 triphosphate is an ATP analogue.
Related Articles:
-
Xiting Chen
-
Xiaoyu Liu, Duyun Peng, Youdong Wen
-
Junda Lin
-
Mukeba Mbala Eric, Shiwei Xu, Wen Yu, Shengwei Wang, Abdul-Gafar Ahmed, Siek Darith, Mujinga Bukasa Eliane
-
Xiaochun Mei