研究成果： |
代表性科研项目和成果： 2010年所在团队吉林省科技进步奖一等奖；
2014年所在团队中华医学科技奖三等奖；
2015年所在团队吉林省自然科学奖一等奖。 2012年获得国家自然科学基金青年基金 2013年获得中国博士后科学基金 2017年获得大安青仁黑豆有效成分的功能性技术开发 2018年获得葵花盘活性成分提取工艺的开发 2020年获得红色食品有效成分的制备及提取工艺的开发（100万） 2023年获得吉林省科技厅中青年科技创新创业人才项目 2023年获得吉林省科技厅面上项目 2024年获得十四五军队重点项目（115万） 文章代表作： [1] XU X , LIU Y, HAN W, LI W ,Network pharmacology and experiment indicated that medicinal food homologous components play important roles in insomnia.Food Frontiers. 2023;1–19. [2] LIU K, YU X, CUI H, et al. GPT4Kinase: High-accuracy prediction of inhibitor-kinase binding affinity utilizing large language model [J]. Int J Biol Macromol, 2024, 282(Pt 5): 137069. [3] ZHAO W, YANG H, CUI H, et al. Elucidating the structural basis of vitamin B(12) derivatives as novel potent inhibitors of PTP1B: Insights from inhibitory mechanisms using Gaussian accelerated molecular dynamics (GaMD) and in vitro study [J]. Int J Biol Macromol, 2024, 268(Pt 2): 131902. [4] ZHANG Y, LIU Y, LI W, et al. Antioxidant activity of soybean peptides and Keap1 protein: A combined in vitro and in silico analysis [J]. LWT, 2024, 212: 117019. [5] WANG K, CUI H, LIU K, et al. Exploring the anti-gout potential of sunflower receptacles alkaloids: A computational and pharmacological analysis [J]. Comput Biol Med, 2024, 172: 108252. [6] LIU M, WANG K, ZHANG Y, et al. Mechanistic Study of Protein Interaction with Natto Inhibitory Peptides Targeting Xanthine Oxidase: Insights from Machine Learning and Molecular Dynamics Simulations [J]. Journal of Chemical Information and Modeling, 2025. [7] LIU K, CUI H, YU X, et al. Predicting cardiotoxicity in drug development: A deep learning approach [J]. Journal of Pharmaceutical Analysis, 2025: 101263. [8] CUI H, HE Y, WANG Z, et al. Unveiling drug-induced osteotoxicity: A machine learning approach and webserver [J]. Journal of Hazardous Materials, 2025, 492: 138044. [9] Wang K, Liu M, Zhang Y, Li W, Han W. Artificial Intelligence-Aided Virtual Screening and Molecular Dynamics Analysis of Novel Xanthine Oxidase Inhibitory Peptides Derived from Sunflower (Helianthus annuus) Proteins.J Agric Food Chem . 2025 Nov 4. [10] Zhang Y, He Y, Li S, Li W, Han W.Pred5AOP: an efficient screening of food-derived antioxidant peptides based on deep learning, molecular docking, and experimental validation. Food Chem . 2025 Nov 30;493(Pt 2):145769. [11] Kaifeng Liu , Huizi Cui , Xiangyu Yu , Wannan Li , Weiwei Han. Predicting cardiotoxicity in drug development: A deep learning approach [J]. J Pharm Anal, 2025, 15(8): 101263. [12] Huizi Cui , Yi He , Zhibang Wang , Kaifeng Liu , Wannan Li , Weiwei Han. Unveiling drug-induced osteotoxicity: A machine learning approach and webserver [J]. J Hazard Mater, 2025, 492: 138044. [13] Kaiyu Wang , Xue Bai , Hengzheng Yang , Kaifeng Liu, Lu Han,Wan nan Li∗ and Weiwei Han∗. Therapeutic Potential and Mechanistic Insights of Sunflower Receptacles’ Essential Oil Against Gout: An In-Depth Molecular Study [J]. Communications in Computational Chemistry, 2025,Vol. 7, No. 1, 1–12 [14] Minghao Liu , Kaiyu Wang , Yan Zhang , Xue Zhou , Wannan Li , Weiwei Han. Mechanistic Study of Protein Interaction with Natto Inhibitory Peptides Targeting Xanthine Oxidase: Insights from Machine Learning and Molecular Dynamics Simulations [J]. J Chem Inf Model, 2025, 65(7): 3682-96. [15] Minghao Liu , Yan Zhang , Jiuliang Yang , Xue Zhou , Wannan Li , Weiwei Han . Screening and Characterization of Antioxidant Peptides from Ganoderma lucidum: Virtual Prediction, Experimental Validation, and Mechanistic Insights [J]. Food Bioscience 69 (2025) 106878 [16] Jian Xiu , Hengzheng Yang , Xiaoli Shen , Yuenan Xing , Wannan Li , Weiwei Han. Exploring Hidden Dangers: Predicting Mycotoxin-like Toxicity and Mapping Toxicological Networks in Hepatocellular Carcinoma [J]. Journal of chemical information and modeling,2025 Jun 9;65(11):5327-5344. [17] Cheng Cheng , Huizi Cui , Xiangyu Yu , Wannan Li. Screening and Validation: AI-Aided Discovery of Dipeptidyl Peptidase-4 Inhibitory Peptides from Hydrolyzed Rice Proteins [J]. Foods, 2025, 14(11): 1916. [18] Yi He , Yan Zhang , Minghao Liu , Jiaying Li , Wannan Li , Weiwei Han. Deep learning-based dipeptidyl peptidase IV inhibitor screening, experimental validation, and GaMD/LiGaMD analysis [J]. BMC Biology, 2025, 23(1): 173. [19] Yuyang Liu , Yan Zhang , Minghao Liu , Sainan Yu , Zhenglin Tian , Wannan Li , Weiwei Han. Virtual Hydrolysis-Based Screening of Wheat-Derived DPP-IV Inhibitory Peptides: A Mechanistic Analysis Integrating Cell Experiments and Molecular Dynamics Simulations [J]. J Agric Food Chem . 2025 Aug 6;73(31):19410-19426. [20] Yan Zhang , Yi He , Shihong Li , Wannan Li , Weiwei Han, et al. Pred5AOP: an efficient screening of food-derived antioxidant peptides based on deep learning, molecular docking, and experimental validation [J]. Food chemistry, 2025, 493 Pt 2: 145769. [21] Huizi Cui , Yuxuan Wang , Yu Fu , Xiangyu Yu , Wannan Li , Feng Lin , Weiwei Han. Precision in Predicting Protein–Nucleic Acid Complexes: Establishing a Benchmark Data Set and Comparative Metrics [J]. Journal of Chemical Information and Modeling, 2025, 65(18): 9654-71. [22] Kaiyu Wang , Minghao Liu , Yan Zhang , Wannan Li , Weiwei Han. Artificial Intelligence-Aided Virtual Screening and Molecular Dynamics Analysis of Novel Xanthine Oxidase Inhibitory Peptides Derived from Sunflower (Helianthus annuus) Proteins [J]. Journal of Agricultural and Food Chemistry, 2025, 73(46): 29551-65. [23] Yi He , Yan Zhang , Pengying Zhang , Jiaying Li , Wannan Li , Weiwei Han. Screening and analysis of malt pentapeptide DPP-IV inhibitory activity [J]. npj Science of Food, 2025, 9(1): 224. [24] Sainan Yu , Yuyang Liu , Xueqi Fu , Wenfu Yan , Wenwen Gao , Wannan Li , Weiwei Han. Virtual screening of sweet peptides from milk protein and molecular dynamics simulations mechanism analysis [J]. J Dairy Sci, 2025 Dec 18:S0022-0302(25)01037-9. 发明专利： 一种激活细胞功能的ACE抑制肽及其制备方法和应用（专利号：ZL202011529449.9）。 葵花盘中小分子肽LIFCEK及其在黄嘌呤氧化酶抑制中的应用（专利号：ZL202411170152.6） 一种DPPⅣ抑制肽的筛选方法及应用（专利号：ZL 202510237985.8） 一种治疗阿尔兹海默症和抗衰老的复方组分及其制备方法（专利号：ZL 202411677275.9） 5、一种具有酸味活性的小分子肽及其应用（专利号：ZL 202511408238.2） |
