Integrative analysis of the anti-diabetic inhibitor GW9508 binding to human serum albumin: computational, spectroscopic and ITC insights.

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Title: Integrative analysis of the anti-diabetic inhibitor GW9508 binding to human serum albumin: computational, spectroscopic and ITC insights.
Authors: Rehman F; Institute of Biological Sciences, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia., Mohamad SB; Institute of Biological Sciences, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia.; Centre of Research for Computational Sciences and Informatics for Biology, Bioindustry, Environment, Agriculture and Healthcare, Universiti Malaya, Kuala Lumpur, Malaysia., Abd Rahman SNA; Department of Chemistry, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia., Othman MA; Department of Chemistry, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia.; Centre for Natural Products Research and Drug Discovery (CENAR), Universiti Malaya, Kuala Lumpur, Malaysia., Paterson IC; Department of Oral and Craniofacial Sciences, Faculty of Dentistry, Universiti Malaya, Kuala Lumpur, Malaysia.; Oral Cancer Research and Coordinating Centre, Faculty of Dentistry, Universiti Malaya, Kuala Lumpur, Malaysia., Halim AAA; Department of Oral and Craniofacial Sciences, Faculty of Dentistry, Universiti Malaya, Kuala Lumpur, Malaysia., Sundari Rajagopal M; Faculty of Pharmaceutical Sciences, UCSI University, Kuala Lumpur, Malaysia., Tayyab S; Faculty of Pharmaceutical Sciences, UCSI University, Kuala Lumpur, Malaysia.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2026 Apr; Vol. 44 (7), pp. 3337-3360. Date of Electronic Publication: 2025 Jul 28.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Integrative analysis of the anti-diabetic inhibitor GW9508 binding to human serum albumin: computational, spectroscopic and ITC insights.
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  Data: <searchLink fieldCode="AU" term="%22Rehman+F%22">Rehman F</searchLink>; Institute of Biological Sciences, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia.<br /><searchLink fieldCode="AU" term="%22Mohamad+SB%22">Mohamad SB</searchLink>; Institute of Biological Sciences, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia.; Centre of Research for Computational Sciences and Informatics for Biology, Bioindustry, Environment, Agriculture and Healthcare, Universiti Malaya, Kuala Lumpur, Malaysia.<br /><searchLink fieldCode="AU" term="%22Abd+Rahman+SNA%22">Abd Rahman SNA</searchLink>; Department of Chemistry, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia.<br /><searchLink fieldCode="AU" term="%22Othman+MA%22">Othman MA</searchLink>; Department of Chemistry, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia.; Centre for Natural Products Research and Drug Discovery (CENAR), Universiti Malaya, Kuala Lumpur, Malaysia.<br /><searchLink fieldCode="AU" term="%22Paterson+IC%22">Paterson IC</searchLink>; Department of Oral and Craniofacial Sciences, Faculty of Dentistry, Universiti Malaya, Kuala Lumpur, Malaysia.; Oral Cancer Research and Coordinating Centre, Faculty of Dentistry, Universiti Malaya, Kuala Lumpur, Malaysia.<br /><searchLink fieldCode="AU" term="%22Halim+AAA%22">Halim AAA</searchLink>; Department of Oral and Craniofacial Sciences, Faculty of Dentistry, Universiti Malaya, Kuala Lumpur, Malaysia.<br /><searchLink fieldCode="AU" term="%22Sundari+Rajagopal+M%22">Sundari Rajagopal M</searchLink>; Faculty of Pharmaceutical Sciences, UCSI University, Kuala Lumpur, Malaysia.<br /><searchLink fieldCode="AU" term="%22Tayyab+S%22">Tayyab S</searchLink>; Faculty of Pharmaceutical Sciences, UCSI University, Kuala Lumpur, Malaysia.
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  Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2026 Apr; Vol. 44 (7), pp. 3337-3360. <i>Date of Electronic Publication: </i>2025 Jul 28.
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  Data: Journal Article; Research Support, Non-U.S. Gov't
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Taylor+%26+Francis%22">Taylor & Francis </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>8404176 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1538-0254 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2207391102%22">07391102 </searchLink><i>NLM ISO Abbreviation: </i>J Biomol Struct Dyn <i>Subsets: </i>MEDLINE
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      – Type: doi
        Value: 10.1080/07391102.2025.2531181
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      – Code: eng
        Text: English
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        StartPage: 3337
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      – TitleFull: Integrative analysis of the anti-diabetic inhibitor GW9508 binding to human serum albumin: computational, spectroscopic and ITC insights.
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            NameFull: Rehman F
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            – D: 01
              M: 04
              Text: 2026 Apr
              Type: published
              Y: 2026
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