FOODINFORMATICS OF VANILLIN-RICH DRINK AGAINST CANONICAL TARGETS OF BREAST CANCER

Abstract

Aim and objective: Vanillin-rich drink (Vimto®) is a popular drink among women. The aim of this study was to evaluate anti-breast cancer potential of Vimto®. Methods: the chemical composition of Vimto® has been determined by gas chromatography and foodinformatics used to identify its putative binders to canonical targets of breast cancer. The binding affinity (kcal/mol) of the target proteins of breast cancer and the phytocompounds was computationally obtained. Results: Major aliphatic hydrocarbons of Vimto® were hydroxymethyl furfurole, tetradecane, hexadecane, dodecane, octadecane and 9-octadecenamide while aromatic hydrocarbons were vanillin, benzoic acid, diisooctyl phthalate, butanoic acid, piperonal, bis (2-ethylhexyl) phthalate, and germacrene D. 9-octadecenamidebound firmly to HER2 (human epidermal growth factor receptor 2) and warrant experimental studies. All aromatic hydrocarbons expect benzoic acid and vanillin showed reliable BA with HER2. Germacrene D showed acceptable binding affinity with estrogen receptor alpha (ERα) and estrone sulfatase. Benzoic acid and diisooctyl phthalate showed strong BA with phosphoinositide 3-kinases (PI3Ks) and AKT (protein kinase B), respectively. Bis (2-ethylhexyl) phthalate and diisooctyl phthalate have been docked with HER2. Butanoic acid and bis (2-ethylhexyl) phthalate showed binding affinity with aromatase. Benzoic acid and diisooctyl phthalate, and bis (2-ethylhexyl) are not safe compounds while bounded to target proteins of breast cancer. Conclusions: To sum up, Vimto® is an amalgam of safe compounds possess possible anti-breast cancer, however it needs further experimental and biosafety evaluation. Peer Review History: Received: 10 January 2022; Revised: 10 February; Accepted: 8 March, Available online: 15 March 2022 Academic Editor: Dr. Jennifer Audu-Peter, University of Jos, Nigeria, drambia44@gmail.com UJPR follows the most transparent and toughest ‘Advanced OPEN peer review’ system. The identity of the authors and, reviewers will be known to each other. This transparent process will help to eradicate any possible malicious/purposeful interference by any person (publishing staff, reviewer, editor, author, etc) during peer review. As a result of this unique system, all reviewers will get their due recognition and respect, once their names are published in the papers. We expect that, by publishing peer review reports with published papers, will be helpful to many authors for drafting their article according to the specifications. Auhors will remove any error of their article and they will improve their article(s) according to the previous reports displayed with published article(s). The main purpose of it is ‘to improve the quality of a candidate manuscript’. Our reviewers check the ‘strength and weakness of a manuscript honestly’. There will increase in the perfection, and transparency. Received file: Reviewer's Comments: Average Peer review marks at initial stage: 6.0/10 Average Peer review marks at publication stage: 7.5/10 Reviewers: Dr. Rima Benatoui, Laboratory of Applied Neuroendocrinology, Department of Biology, Faculty of Science, Badji Mokhtar University Annaba, BP12 E L Hadjar–Algeria, benattouiryma@gmail.com Dr. U. S. Mahadeva Rao, Universiti Sultan Zainal Abidin, Terengganu Malaysia, raousm@gmail.com Similar Articles: EVALUATION OF CURRENT SCENARIO OF CANCER DISEASE AT CHATTAGRAM IN BANGLADESH CYTOTOXIC ACTIVITIES IN VITRO OF FLOWER EXTRACTS OF THREE SPECIES OF ALOE GROWING IN YEMEN:ALOE RUBROVIOLACEAE, ALOE VERA AND ALOE SABAEA, AGAINST ELEVEN TYPES OF CANCER CELL LINES A REVIEW OF BREAST CANCER RISK FACTORS