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Unveiling potent xanthine oxidase inhibitors in two Balanophora spp. using machine learning-based virtual screening and molecular docking approach.

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Title: Unveiling potent xanthine oxidase inhibitors in two Balanophora spp. using machine learning-based virtual screening and molecular docking approach.
Authors: An NN; VNU University of Engineering and Technology, 144 Xuan Thuy, Cau Giay, Hanoi, 100000, Vietnam., Tung DQ; Department of Computer and Systems Sciences, Stockholm University, 106 91, Stockholm, Sweden., Van Tue L; VNU University of Engineering and Technology, 144 Xuan Thuy, Cau Giay, Hanoi, 100000, Vietnam., Son NT; VNU University of Engineering and Technology, 144 Xuan Thuy, Cau Giay, Hanoi, 100000, Vietnam., Tung NT; Hanoi University of Pharmacy, 13 - 15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam., Le HG; Department of Pharmacognosy and Traditional Pharmacy, School of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, 700000, Vietnam., Tam TC; Hanoi University of Pharmacy, 13 - 15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam., Thuan NT; Hanoi University of Pharmacy, 13 - 15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam., Baecker D; Department of Pharmaceutical and Medicinal Chemistry, Institute of Pharmacy, Freie Universität Berlin, Königin-Luise-Straße 2+4, 14195, Berlin, Germany. d.baecker@fu-berlin.de., Dung DTM; Hanoi University of Pharmacy, 13 - 15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam. dungdtm@hup.edu.vn.; Unit of Computation and AI Application Research, Faculty of Pharmaceutical Chemistry and Technology , Hanoi University of Pharmacy, 13-15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam. dungdtm@hup.edu.vn.
Source: Scientific reports [Sci Rep] 2025 Dec 16; Vol. 15 (1), pp. 43877. Date of Electronic Publication: 2025 Dec 16.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Unveiling potent xanthine oxidase inhibitors in two Balanophora spp. using machine learning-based virtual screening and molecular docking approach.
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  Data: <searchLink fieldCode="AU" term="%22An+NN%22">An NN</searchLink>; VNU University of Engineering and Technology, 144 Xuan Thuy, Cau Giay, Hanoi, 100000, Vietnam.<br /><searchLink fieldCode="AU" term="%22Tung+DQ%22">Tung DQ</searchLink>; Department of Computer and Systems Sciences, Stockholm University, 106 91, Stockholm, Sweden.<br /><searchLink fieldCode="AU" term="%22Van+Tue+L%22">Van Tue L</searchLink>; VNU University of Engineering and Technology, 144 Xuan Thuy, Cau Giay, Hanoi, 100000, Vietnam.<br /><searchLink fieldCode="AU" term="%22Son+NT%22">Son NT</searchLink>; VNU University of Engineering and Technology, 144 Xuan Thuy, Cau Giay, Hanoi, 100000, Vietnam.<br /><searchLink fieldCode="AU" term="%22Tung+NT%22">Tung NT</searchLink>; Hanoi University of Pharmacy, 13 - 15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam.<br /><searchLink fieldCode="AU" term="%22Le+HG%22">Le HG</searchLink>; Department of Pharmacognosy and Traditional Pharmacy, School of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, 700000, Vietnam.<br /><searchLink fieldCode="AU" term="%22Tam+TC%22">Tam TC</searchLink>; Hanoi University of Pharmacy, 13 - 15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam.<br /><searchLink fieldCode="AU" term="%22Thuan+NT%22">Thuan NT</searchLink>; Hanoi University of Pharmacy, 13 - 15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam.<br /><searchLink fieldCode="AU" term="%22Baecker+D%22">Baecker D</searchLink>; Department of Pharmaceutical and Medicinal Chemistry, Institute of Pharmacy, Freie Universität Berlin, Königin-Luise-Straße 2+4, 14195, Berlin, Germany. d.baecker@fu-berlin.de.<br /><searchLink fieldCode="AU" term="%22Dung+DTM%22">Dung DTM</searchLink>; Hanoi University of Pharmacy, 13 - 15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam. dungdtm@hup.edu.vn.; Unit of Computation and AI Application Research, Faculty of Pharmaceutical Chemistry and Technology , Hanoi University of Pharmacy, 13-15 Le Thanh Tong, Cua Nam, Hanoi, 100000, Vietnam. dungdtm@hup.edu.vn.
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  Data: <searchLink fieldCode="JN" term="%22101563288%22">Scientific reports</searchLink> [Sci Rep] 2025 Dec 16; Vol. 15 (1), pp. 43877. <i>Date of Electronic Publication: </i>2025 Dec 16.
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              Text: 2025 Dec 16
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