Sains Malaysiana 51(5)(2022): 1373-1383

http://doi.org/10.17576/jsm-2022-5105-09

Analysis of Serum Pharmacochemistry of Hederagenin using UPLC-Q-TOF/MS

(Analisis Farmakokimia Serum Hederagenin menggunakan UPLC-Q-TOF/MS)

MENG YANG* & JING WANG

School of Pharmaceutical Engineering, Jiang Su Food & Pharmaceutical Science College

China, 4, Meicheng Road, Huaian 223003, PR China

Received: 25 January 2021/Accepted: 5 October 2021

Abstract

This study investigated the changes of plasma absorbed components in rats after oral administration of hederagenin. Serum pharmacochemistry analysis of hederagenin was carried out to understand the changes of its metabolic components in the body. Biological samples were collected and then the migration components of hederagenin-containing serum were established by UPLC/Q-TOF-MS technique. Possible metabolites were obtained for comprehensive analysis through relevant studies and the regulation of broken bonds in the molecular structure of hederagenin. At about 10.262 min, the molecular ion peak of the hederagenin of M/Z 471[M-H]^- was detected in negative ion mode and the prototype product and its associated fragment ions could be detected only at 1, 3, 6, 9, 12, and 24 h after administration. Seventy-one signal peaks of potential metabolites were found in the drug serum. Based on the bond energy characteristics of molecular structure, 47 possible metabolite-related molecular ion peaks through decarboxylation, dehydration, demethylation or methyl shift, deoxygenation, ring opening, and unsaturated biformation were deduced, and signals of 35 metabolite-related molecular ion peaks were identified. Hederagenin can metabolize many products in vivo. Important information about the metabolism of hederagenin, which is useful for fully understanding its mechanism of action, was provided in this study.

Keywords: Hederagenin; serum pharmacochemistry; UPLC/Q-TOF-MS

Abstrak

Penyelidikan ini mengkaji perubahan komponen yang diserap plasma dalam tikus selepas pemberian oral hederagenin. Analisis farmakokimia serum hederagenin telah dijalankan untuk memahami perubahan komponen metabolik dalam badan. Sampel biologi telah dikumpulkan dan kemudian komponen penghijrahan serum yang mengandungi hederagenin telah dibentuk dengan teknik UPLC/Q-TOF-MS. Metabolit yang mungkin diperoleh menjalani analisis komprehensif melalui kajian yang berkaitan dan pengawalan ikatan pecah dalam struktur molekul hederagenin. Pada 10.262 min, puncak ion molekul hederagenin M/Z 471[MH]- telah dikesan dalam mod ion negatif dan produk prototaip serta ion serpihan yang berkaitan boleh dikesan hanya pada 1, 3, 6, 9, 12 dan 24 jam. Tujuh puluh satupuncak isyarat metabolit yang berpotensi ditemui dalam serum ubat. Berdasarkan ciri tenaga ikatan struktur molekul, 47 daripadanya berkemungkinan ion molekul yang berkaitan dengan metabolit memuncak melalui dekarboksilasi, dehidrasi, demetilasi atau anjakan metil, penyahoksigenan, pembukaan cincin serta biformasi tak tepu dan signal 35 ion molekul berkaitan metabolit puncak dikenal pasti. Hederagenin boleh memetabolismekan banyak produk in vivo. Maklumat penting tentang metabolisme hederagenin yang berguna untuk memahami sepenuhnya mekanisme tindakannya telah dikaji dalam kajian ini.

Kata kunci: Farmakokimia serum; hederagenin; UPLC/Q-TOF-MS

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^*Corresponding author; email: yangmeng202006@163.com