Molecular recognition and solubility of mefenamic acid in water

Molecular dynamics (MD) simulations were performed using COMPASS force field and Ewald summation method that are available in the Material Studio simulation package. The aim of this work is to investigate the solubility and intermolecular interactions (i.e., hydrogen bonding) of water with mefenam...

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Main Authors:	Abdul Mudalip, Siti Kholijah, Abu Bakar, Mohd. Rushdi, Jamal, Parveen, Adam, Fatmawati, Alam, Md Zahangir
Format:	Article
Language:	English English
Published:	Asian Publication Corporation 2016
Subjects:	T Technology (General) T175 Industrial research. Research and development
Online Access:	http://irep.iium.edu.my/53731/ http://irep.iium.edu.my/53731/ http://irep.iium.edu.my/53731/ http://irep.iium.edu.my/53731/1/ViewFreeArticle.pdf http://irep.iium.edu.my/53731/7/55731_Molecular%20Recognition%20and%20Solubility_SCOPUS.pdf

id	iium-53731
recordtype	eprints
spelling	iium-537312017-08-10T01:09:42Z http://irep.iium.edu.my/53731/ Molecular recognition and solubility of mefenamic acid in water Abdul Mudalip, Siti Kholijah Abu Bakar, Mohd. Rushdi Jamal, Parveen Adam, Fatmawati Alam, Md Zahangir T Technology (General) T175 Industrial research. Research and development Molecular dynamics (MD) simulations were performed using COMPASS force field and Ewald summation method that are available in the Material Studio simulation package. The aim of this work is to investigate the solubility and intermolecular interactions (i.e., hydrogen bonding) of water with mefenamic acid. The solubility of mefenamic acid in water is lower than the ideal solubility. The results of the simulation show that the density, diffusion coefficient and radial distribution functions (RDFs) calculated for water are comparable with the literature. Analysis of radial distribution functions in the binary system of mefenamic acid/water shows low hydrogen bond formation between mefenamic acid and water molecules as well as diffusivity. In addition, the strength of the interaction is much lower than that of hydrogen bonds formed between molecules of water. These findings suggest low diffusivity and poor solubility characteristic of mefenamic acid in water Asian Publication Corporation 2016 Article PeerReviewed application/pdf en http://irep.iium.edu.my/53731/1/ViewFreeArticle.pdf application/pdf en http://irep.iium.edu.my/53731/7/55731_Molecular%20Recognition%20and%20Solubility_SCOPUS.pdf Abdul Mudalip, Siti Kholijah and Abu Bakar, Mohd. Rushdi and Jamal, Parveen and Adam, Fatmawati and Alam, Md Zahangir (2016) Molecular recognition and solubility of mefenamic acid in water. Asian Journal of Chemistry, 28 (4). pp. 853-858. ISSN 0970-7077 http://www.asianjournalofchemistry.co.in/user/journal/viewarticle.aspx?ArticleID=28_4_26 10.14233/ajchem.2016.19538
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English English
topic	T Technology (General) T175 Industrial research. Research and development
spellingShingle	T Technology (General) T175 Industrial research. Research and development Abdul Mudalip, Siti Kholijah Abu Bakar, Mohd. Rushdi Jamal, Parveen Adam, Fatmawati Alam, Md Zahangir Molecular recognition and solubility of mefenamic acid in water
description	Molecular dynamics (MD) simulations were performed using COMPASS force field and Ewald summation method that are available in the Material Studio simulation package. The aim of this work is to investigate the solubility and intermolecular interactions (i.e., hydrogen bonding) of water with mefenamic acid. The solubility of mefenamic acid in water is lower than the ideal solubility. The results of the simulation show that the density, diffusion coefficient and radial distribution functions (RDFs) calculated for water are comparable with the literature. Analysis of radial distribution functions in the binary system of mefenamic acid/water shows low hydrogen bond formation between mefenamic acid and water molecules as well as diffusivity. In addition, the strength of the interaction is much lower than that of hydrogen bonds formed between molecules of water. These findings suggest low diffusivity and poor solubility characteristic of mefenamic acid in water
format	Article
author	Abdul Mudalip, Siti Kholijah Abu Bakar, Mohd. Rushdi Jamal, Parveen Adam, Fatmawati Alam, Md Zahangir
author_facet	Abdul Mudalip, Siti Kholijah Abu Bakar, Mohd. Rushdi Jamal, Parveen Adam, Fatmawati Alam, Md Zahangir
author_sort	Abdul Mudalip, Siti Kholijah
title	Molecular recognition and solubility of mefenamic acid in water
title_short	Molecular recognition and solubility of mefenamic acid in water
title_full	Molecular recognition and solubility of mefenamic acid in water
title_fullStr	Molecular recognition and solubility of mefenamic acid in water
title_full_unstemmed	Molecular recognition and solubility of mefenamic acid in water
title_sort	molecular recognition and solubility of mefenamic acid in water
publisher	Asian Publication Corporation
publishDate	2016
url	http://irep.iium.edu.my/53731/ http://irep.iium.edu.my/53731/ http://irep.iium.edu.my/53731/ http://irep.iium.edu.my/53731/1/ViewFreeArticle.pdf http://irep.iium.edu.my/53731/7/55731_Molecular%20Recognition%20and%20Solubility_SCOPUS.pdf
first_indexed	2018-09-07T07:20:50Z
last_indexed	2018-09-07T07:20:50Z
_version_	1610932394854973440

Molecular recognition and solubility of mefenamic acid in water

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