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. |
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| 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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| ISSN: | 2045-2322 |
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| DOI: | 10.1038/s41598-025-32282-6 |
