The Physicochemical and Cytotoxicity of Emulsified Virgin Coconut Oil and Its Molecular study on COX-2 Inhibition: A Computer Aided Drug Design Approach

Virgin coconut oil (VCO) has attracted many interests for research due to it having outstanding health benefits and potential for cosmetics, drugs, and nutraceuticals. Virgin coconut emulsion (VCE) is an advanced, nanosized form of VCO with increased bioavailability. The oil-in-water type of emulsif...

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Main Authors:	Swen Jack, Kho, Mohd Razip, Asaruddin, Showkat Ahmad, Bhawani
Format:	Thesis
Language:	English English
Published:	2023
Subjects:	QD Chemistry
Online Access:	http://ir.unimas.my/id/eprint/43044/3/Thesis%20Master_Kho%20Swen%20Jack.ftext.pdf http://ir.unimas.my/id/eprint/43044/4/Kho%20Swan%20Jack_dsva.pdf
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id	my-unimas-ir.43044
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spelling	my-unimas-ir.430442023-10-18T06:51:35Z The Physicochemical and Cytotoxicity of Emulsified Virgin Coconut Oil and Its Molecular study on COX-2 Inhibition: A Computer Aided Drug Design Approach 2023-09-04 Swen Jack, Kho Mohd Razip, Asaruddin Showkat Ahmad, Bhawani QD Chemistry Virgin coconut oil (VCO) has attracted many interests for research due to it having outstanding health benefits and potential for cosmetics, drugs, and nutraceuticals. Virgin coconut emulsion (VCE) is an advanced, nanosized form of VCO with increased bioavailability. The oil-in-water type of emulsified VCO has become soluble in water, thus, increasing the conversion rate of triglycerides to lauric acid, monolaurin, and other vital derivatives. This study is to formulate a novel oil-in-polyol type VCE with high grade solubility, versatile for making supplements, cosmetics, and as a drug delivery system against inflammation. GCMS determined the most suitable VCO to be used in the formulation whereby the optimal VCE formulation (1:4) was found with SC ratio of 32:50 via constructing Pseudo-ternary phase diagram. It passes the thermodynamic and shelf stability test followed by achieving great polydispersity index (0.2737), particle size distribution (46.08 nm), zeta potential score (-20.07). Drug design concluded with the results obtained showing that the monolaurin (-7.58 kcal/mol) has strong interactions with COX-2 protein to disrupt its function due to significant hydrogen bonds (5) and hydrophobic interactions (10) with amino acid residues present in the target protein’s active site. These results displayed positive anti-inflammatory result of monolaurin in VCE as new promising drug candidate against inflammation based on CADD. UNIVERSITI MALAYSIA SARAWAK 2023-09 Thesis http://ir.unimas.my/id/eprint/43044/ http://ir.unimas.my/id/eprint/43044/3/Thesis%20Master_Kho%20Swen%20Jack.ftext.pdf text en validuser http://ir.unimas.my/id/eprint/43044/4/Kho%20Swan%20Jack_dsva.pdf text en staffonly masters Faculty of Resource Science and Technology Chemistry
institution	Universiti Malaysia Sarawak
collection	UNIMAS Institutional Repository
language	English English
topic	QD Chemistry
spellingShingle	QD Chemistry Swen Jack, Kho Mohd Razip, Asaruddin Showkat Ahmad, Bhawani The Physicochemical and Cytotoxicity of Emulsified Virgin Coconut Oil and Its Molecular study on COX-2 Inhibition: A Computer Aided Drug Design Approach
description	Virgin coconut oil (VCO) has attracted many interests for research due to it having outstanding health benefits and potential for cosmetics, drugs, and nutraceuticals. Virgin coconut emulsion (VCE) is an advanced, nanosized form of VCO with increased bioavailability. The oil-in-water type of emulsified VCO has become soluble in water, thus, increasing the conversion rate of triglycerides to lauric acid, monolaurin, and other vital derivatives. This study is to formulate a novel oil-in-polyol type VCE with high grade solubility, versatile for making supplements, cosmetics, and as a drug delivery system against inflammation. GCMS determined the most suitable VCO to be used in the formulation whereby the optimal VCE formulation (1:4) was found with SC ratio of 32:50 via constructing Pseudo-ternary phase diagram. It passes the thermodynamic and shelf stability test followed by achieving great polydispersity index (0.2737), particle size distribution (46.08 nm), zeta potential score (-20.07). Drug design concluded with the results obtained showing that the monolaurin (-7.58 kcal/mol) has strong interactions with COX-2 protein to disrupt its function due to significant hydrogen bonds (5) and hydrophobic interactions (10) with amino acid residues present in the target protein’s active site. These results displayed positive anti-inflammatory result of monolaurin in VCE as new promising drug candidate against inflammation based on CADD.
format	Thesis
qualification_level	Master's degree
author	Swen Jack, Kho Mohd Razip, Asaruddin Showkat Ahmad, Bhawani
author_facet	Swen Jack, Kho Mohd Razip, Asaruddin Showkat Ahmad, Bhawani
author_sort	Swen Jack, Kho
title	The Physicochemical and Cytotoxicity of Emulsified Virgin Coconut Oil and Its Molecular study on COX-2 Inhibition: A Computer Aided Drug Design Approach
title_short	The Physicochemical and Cytotoxicity of Emulsified Virgin Coconut Oil and Its Molecular study on COX-2 Inhibition: A Computer Aided Drug Design Approach
title_full	The Physicochemical and Cytotoxicity of Emulsified Virgin Coconut Oil and Its Molecular study on COX-2 Inhibition: A Computer Aided Drug Design Approach
title_fullStr	The Physicochemical and Cytotoxicity of Emulsified Virgin Coconut Oil and Its Molecular study on COX-2 Inhibition: A Computer Aided Drug Design Approach
title_full_unstemmed	The Physicochemical and Cytotoxicity of Emulsified Virgin Coconut Oil and Its Molecular study on COX-2 Inhibition: A Computer Aided Drug Design Approach
title_sort	physicochemical and cytotoxicity of emulsified virgin coconut oil and its molecular study on cox-2 inhibition: a computer aided drug design approach
granting_institution	Faculty of Resource Science and Technology
granting_department	Chemistry
publishDate	2023
url	http://ir.unimas.my/id/eprint/43044/3/Thesis%20Master_Kho%20Swen%20Jack.ftext.pdf http://ir.unimas.my/id/eprint/43044/4/Kho%20Swan%20Jack_dsva.pdf
_version_	1783728546222440448

The Physicochemical and Cytotoxicity of Emulsified Virgin Coconut Oil and Its Molecular study on COX-2 Inhibition: A Computer Aided Drug Design Approach

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