Mechanistic Elucidation of BBOX-Catalyzed Hydroxylation and THP-Induced Oxidative Rearrangement via QM/MM Calculations.
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| Title: | Mechanistic Elucidation of BBOX-Catalyzed Hydroxylation and THP-Induced Oxidative Rearrangement via QM/MM Calculations. |
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| Authors: | Ruan Z; Shandong Huameng Traditional Chinese Medicine Research Co., Ltd., Jinan 250002, China., Li H; College of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan 250355, China., Liu Y; School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China., Zhang X; School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China., Li X; Institute of Chinese Materia Medica Chemistry, Shandong Academy of Chinese Medicine, Jinan 250013, China. |
| Source: | Molecules (Basel, Switzerland) [Molecules] 2026 Jun 03; Vol. 31 (11). Date of Electronic Publication: 2026 Jun 03. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 1420-3049 |
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| DOI: | 10.3390/molecules31111941 |
