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Rapid identification of bioactive peptides in Tabanus by high-resolution mass spectrometry and prediction of their biological activities
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Zhi-xing HUANG1, Wei-ting ZHONG2, Shi-yu SU1, Xin-qi DENG3, Heng CHEN1, Qin-ling RAO1, Zi-yi HU1, Hao LIU1, Hai-tao GUO1, Mu-xuan LI4, Lu-ni XU5, Tao MA1, *, Chun-guo WANG6, *
Acta Pharmaceutica Sinica | 2025, 60(9) : 2863 - 2875
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Acta Pharmaceutica Sinica | 2025, 60(9): 2863-2875
• Original Articles •
Rapid identification of bioactive peptides in Tabanus by high-resolution mass spectrometry and prediction of their biological activities
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Zhi-xing HUANG1, Wei-ting ZHONG2, Shi-yu SU1, Xin-qi DENG3, Heng CHEN1, Qin-ling RAO1, Zi-yi HU1, Hao LIU1, Hai-tao GUO1, Mu-xuan LI4, Lu-ni XU5, Tao MA1, *, Chun-guo WANG6, *
Affiliations
  • 1School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing 100029, China
  • 2Beijing Tide Pharmaceutical Co., Ltd., Beijing 100176, China
  • 3Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China
  • 4School of Acupuncture and Tuina, Beijing University of Chinese Medicine, Beijing 100029, China
  • 5First Clinical Medical School, Beijing University of Chinese Medicine, Beijing 100029, China
  • 6Beijing Research Institute of Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029, China
Published: 2025-09-12 doi: 10.16438/j.0513-4870.2025-0481
Outline
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This study aimed to screen and identify bioactive peptides from Tabanus, characterize their structural and functional features, and provide a theoretical basis for the development of novel natural peptide-based therapeutics. Initially, bioactive peptides were extracted using phosphate buffered saline (PBS), followed by protein precipitation with cold ethanol and purification via solid-phase extraction (SPE). Peptide identification and sequence analysis were performed based on LC-MS/MS data using PEAKS Studio software. Peptide activity potential was then predicted using Peptide Ranker, and a comprehensive bioinformatics analysis was conducted to evaluate key functional characteristics, including active sites, solubility, stability, toxicity, and intestinal absorption capacity. A total of 10 378 peptide sequences were identified, with lengths predominantly ranging from 6 to 26 amino acids. Most peptides had a molecular weight below 1 500 Da, and 97.49% were below 2 500 Da. Based on Peptide Ranker score (≥ 0.80), 95 candidate bioactive peptides were selected. Among them, 59 peptides were identified as having neuroregulatory potential via the BIOPEP-UWM database, due to the presence of key functional residues. Bioinformatics prediction further revealed that among these 59 peptides, 29 exhibited good water solubility, 22 were predicted to be stable, 43 had favorable intestinal absorption potential, and none were toxic, highlighting their suitability for further functional studies and therapeutic development. Molecular docking analysis demonstrated that FPPRDF, the highest-ranking peptide according to Peptide Ranker, formed stable interactions with dipeptidyl peptidase Ⅲ (DPP Ⅲ), suggesting its potential neuroregulatory and antitumor activities. Overall, this study established a systematic and efficient workflow for the screening and functional prediction of bioactive peptides from natural sources. The proposed strategy provides robust technical support for subsequent experimental validation, mechanistic studies, and the development of novel peptide-based drugs.

Tabanus  /  bioactive peptide  /  peptide function prediction  /  molecular docking
黄智兴, 仲伟婷, 苏诗宇, 邓欣祺, 陈恒, 饶沁玲, 胡子怡, 刘浩, 郭海涛, 李沐萱, 徐禄妮, 马涛, 王春国. 虻虫中的生物活性肽的高分辨质谱快速鉴定与生物活性预测研究. 药学学报, 2025 , 60 (9) : 2863 -2875 . DOI: 10.16438/j.0513-4870.2025-0481
Zhi-xing HUANG, Wei-ting ZHONG, Shi-yu SU, Xin-qi DENG, Heng CHEN, Qin-ling RAO, Zi-yi HU, Hao LIU, Hai-tao GUO, Mu-xuan LI, Lu-ni XU, Tao MA, Chun-guo WANG. Rapid identification of bioactive peptides in Tabanus by high-resolution mass spectrometry and prediction of their biological activities[J]. Acta Pharmaceutica Sinica, 2025 , 60 (9) : 2863 -2875 . DOI: 10.16438/j.0513-4870.2025-0481
Year 2025 volume 60 Issue 9
184
82
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Article Info
doi: 10.16438/j.0513-4870.2025-0481
  • Receive Date:2025-04-26
  • Online Date:2026-09-20
  • Published:2025-09-12
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History
  • Received:2025-04-26
  • Revised:2025-06-21
Affiliations
    1School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing 100029, China
    2Beijing Tide Pharmaceutical Co., Ltd., Beijing 100176, China
    3Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China
    4School of Acupuncture and Tuina, Beijing University of Chinese Medicine, Beijing 100029, China
    5First Clinical Medical School, Beijing University of Chinese Medicine, Beijing 100029, China
    6Beijing Research Institute of Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029, China
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表12种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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