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Pharmacophore modeling, 2D-QSAR, molecular docking and ADME studies for the discovery of inhibitors of PBP2a in MRSA.

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Title: Pharmacophore modeling, 2D-QSAR, molecular docking and ADME studies for the discovery of inhibitors of PBP2a in MRSA.
Authors: Musila FM; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya., Gitau GW; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya., Amwayi PW; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya., Kingoo JM; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya., Kinyanyi DB; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya., Njeru PN; Department of Food & Nutrition, Fleming Technical Institute, Nairobi, Kenya.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2025 Sep; Vol. 43 (15), pp. 8788-8802. Date of Electronic Publication: 2025 May 19.
Publication Type: Journal Article
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: Pharmacophore modeling, 2D-QSAR, molecular docking and ADME studies for the discovery of inhibitors of PBP2a in MRSA.
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  Data: <searchLink fieldCode="AU" term="%22Musila+FM%22">Musila FM</searchLink>; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya.<br /><searchLink fieldCode="AU" term="%22Gitau+GW%22">Gitau GW</searchLink>; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya.<br /><searchLink fieldCode="AU" term="%22Amwayi+PW%22">Amwayi PW</searchLink>; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya.<br /><searchLink fieldCode="AU" term="%22Kingoo+JM%22">Kingoo JM</searchLink>; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya.<br /><searchLink fieldCode="AU" term="%22Kinyanyi+DB%22">Kinyanyi DB</searchLink>; School of Biological & Life Sciences, Technical University of Kenya, Nairobi, Kenya.<br /><searchLink fieldCode="AU" term="%22Njeru+PN%22">Njeru PN</searchLink>; Department of Food & Nutrition, Fleming Technical Institute, Nairobi, Kenya.
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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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        Value: 10.1080/07391102.2025.2507810
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      – Code: eng
        Text: English
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      – TitleFull: Pharmacophore modeling, 2D-QSAR, molecular docking and ADME studies for the discovery of inhibitors of PBP2a in MRSA.
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            NameFull: Musila FM
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            NameFull: Gitau GW
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            – D: 01
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              Text: 2025 Sep
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