Identifying Biomolecular Targets of the Anticancer Vitamin-E-δ-Tocotrienol Using a Computational Approach: Virtual Target Screening
Identifying Biomolecular Targets of the Anticancer Vitamin-E-δ-Tocotrienol Using a Computational Approach: Virtual Target Screening
Review Data
Significance of the Study: This study supports the use of computational approaches such as PharmMapper, PASS and ProBiS as initial step in target identification of anticancer vitamin-E-δ-tocotrienol which significantly avoids time-consuming, costly large-scale experimental screening, greatly reducing the experimental work to just one or a few candidate proteins. On comparison between computational and experimental screening for a first pass, the accuracy of computational screening with virtual approaches is more encouraging. Although virtual target screening (VTS) results need experimental confirmation, the experimental work is greatly reduced by the VTS, filtering out insignificant proteins and by virtual screening filtering out of irrelevant compounds.
Fit with Journal: The manuscript is highly suited for the journal Clinical Oncology and Research.
The Results are consistent in identifying estrogen receptor β (ERβ) as a potential target of vitamin E delta-tocotrienol (VEDT). The Discussion elaborates on the consensus between computational studies and the consistency with experimental data with computational findings. This strengthens the case for the virtual target screening for first pass. The inference drawn is congruent with the data obtained.
The manuscript is mostly well-written except a few minor errors (already corrected in the galley proof), which are listed below –
§ In the 5th sentence of the 2nd paragraph of Introduction, “reveal” should be replaced with “reveals” and in the 7th sentence, “an” should be introduced before increased.
§ The word “best-fitting” should be hyphenated in the 3rd sentence under the subheading PharmMapper in Materials and Methods.
§ Commas and articles (e.g., “the”) were missing in some places, e.g., comma after “development” in the last sentence of Discussion and “the” before “biological activity” in the 1st sentence under “Prediction of Activity Spectra of Substances” and before “highest” in the 2nd sentence of last paragraph under “Results”, and so on.
Yuri Pevzner
Elza Pevzner
Kenyon G. Daniel
Wayne C. Guida
Wesley H. Brooks
Mokenge P. Malafa
Author Info
Corresponding Author
Wesley H. Brooks
Department of Chemistry, University of South Florida, Tampa, Florida, USA
Article Info
Article Type
Research Article
Publication history
Received: Wed 15, Jul 2020
Accepted: Tue 28, Jul 2020
Published: Wed 30, Dec 2020
Copyright
© 2023 Wesley H. Brooks. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Hosting by Science Repository.
DOI: 10.31487/j.COR.2020.08.12