Article
Food Science & Technology
Yajing Fang, Fuqiang Liang, Mengmeng Xia, Weiwei Cao, Siyi Pan, Ting Wu, Xiaoyun Xu
Summary: This study found that certain flavonoids can effectively reverse multidrug resistance mediated by P-glycoprotein (P-gp) by inhibiting its activity, with specific structural groups and substitutions playing a crucial role in their inhibitory effects. Additionally, flavonoids can impact P-gp ATPase activity and expression levels, thereby influencing its drug transport activity.
FOOD AND CHEMICAL TOXICOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Ji Sun Lee, Yunmoon Oh, Hyung Sik Kim, Sungpil Yoon
Summary: The cytotoxicity of various antibiotics was evaluated in drug-resistant cancer cells, and it was found that low doses of rifabutin significantly increased the cytotoxicity of certain antimitotic drugs by inhibiting P-gp. This suggests that repositioning rifabutin for P-gp-overexpressing resistant cancer could be a potential treatment option.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Ji Sun Lee, Yunmoon Oh, Jae Hyeon Park, So Young Kyung, Hyung Sik Kim, Sungpil Yoon
Summary: This study investigates the potential of azole antifungal drugs to enhance the cytotoxicity of antimitotic drugs in P-gp-overexpressing-resistant cancer cells. The results show that Terconazole (TCZ) and Butoconazole (BTZ) can increase cytotoxicity, with TCZ exhibiting stronger activity and the ability to enhance the cytotoxicity of various antimitotic drugs. TCZ also exhibits P-gp inhibitory activity.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Pharmacology & Pharmacy
Domenico Gadaleta, Luca D'Alessandro, Marco Marzo, Emilio Benfenati, Alessandra Roncaglioni
Summary: The thyroid system plays a crucial role in physiological processes but can be disrupted by xenobiotics and contaminants, leading to various diseases. This study introduces QSAR models to predict the TPO inhibitory potential, developed using machine learning methods and validated rigorously internally and externally.
FRONTIERS IN PHARMACOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Yunmoon Oh, Jin-Sol Lee, Ji Sun Lee, Jae Hyeon Park, Hyung Sik Kim, Sungpil Yoon
Summary: This study found that co-treatment with the JAK2 inhibitor fedratinib can enhance cytotoxicity in P-gp-overexpressing drug-resistant cancer cells when used in combination with the anticancer drug vinicristine. The cytotoxic effects are specific to resistant cancer cells and are mediated through cell cycle regulation and induction of apoptosis.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Agriculture, Multidisciplinary
Xin Yang, Tian Wang, Petar Zuvela, Mingtai Sun, Chunyuhang Xu, Hongling Zheng, Xiang Wang, Linzhi Jing, Ke Du, Suhua Wang, Ming Wah Wong, Dejian Huang
Summary: Flavonoids, as effective hypochlorite scavengers, exhibit a clear relationship between their structure and activity.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Shigeyoshi Samizo, Hiromasa Kaneko
Summary: As blood cholesterol increases, it poses a risk for atherosclerosis and coronary artery disease. Inhibiting cholesterol synthesis with drugs like statins can effectively improve blood cholesterol levels. This study developed prediction models to identify a new therapeutic agent for hypercholesterolemia with high inhibitory activity and liver selectivity, resulting in the discovery of compounds with superior properties compared to existing statins.
Article
Environmental Sciences
Xiaotian Xu, Chen Wang, Bingxin Gui, Xiangyi Yuan, Chao Li, Yuanhui Zhao, Christopher J. Martyniuk, Limin Su
Summary: With the promotion of carbon neutrality, it is important to simultaneously focus on the assessment and sustainable management of chemicals to protect public health. This study successfully established a predictive model based on compounds derived from cyclic adenosine monophosphate (cAMP) analysis, effectively identifying and predicting chemicals and active compounds that inhibit the thyroid stimulating hormone receptor (TSHR).
ENVIRONMENTAL RESEARCH
(2022)
Article
Biochemistry & Molecular Biology
Priyanka De, Sagar Bhayye, Vinay Kumar, Kunal Roy
Summary: This study aims to develop a quantitative structure-activity relationship (QSAR) model for 3CL(pro) inhibitors to study their structural requirements and validate the model using molecular docking and molecular dynamics simulation. The model can predict and screen large databases quickly.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Multidisciplinary Sciences
Sylvia Kalli, Carla Araya-Cloutier, Jos Hageman, Jean-Paul Vincken
Summary: High resistance to traditional antibiotics has led to the development of new natural therapeutics against MRSA. Prenylated (iso)flavonoids in Fabaceae plants have shown promise as anti-MRSA compounds, with di-prenylated flavonoids and mono-prenylated isoflavones being the most active. A QSAR model with good predictive power was developed to predict activity against MRSA and other Gram-positive bacteria, highlighting the importance of formal charge in the activity of prenylated (iso)flavonoids.
SCIENTIFIC REPORTS
(2021)
Article
Biochemistry & Molecular Biology
Hassan Rasouli, Seyed Mohammad Bagher Hosseini Ghazvini, Reza Yarani, Ali Altintas, Saber Ghafari Nikoo Jooneghani, Teodorico C. Ramalho
Summary: Alzheimer's disease is a major neurodegenerative disorder, and natural metabolites, such as alkaloids and flavonoids, have shown potential in preventing and improving its complications. However, the lack of data on the molecular mode of action and the ability to cross the blood-brain barrier limits the application of these compounds in AD therapy. This study used docking and quantum studies to determine the binding mode of flavonoids with protein kinases involved in AD pathogenesis, and found that quantum chemical descriptors can help correct virtual docking results and identify promising backbones for further development.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Ying Li, Bo Chen, Hai-Yan Cao, Jing-En Li, Ling-Li Chen, Qing-Feng Zhang
Summary: The study identified C-glycosyl flavonoids as the main constituents of Bambusa multiplex cv Fernleaf leaf extract, which exhibited inhibitory activities on pancreatic lipase and alpha-glucosidase. In vivo experiments confirmed the extract's ability to reduce fat absorption in rats.
Editorial Material
Food Science & Technology
Hubert Wojtasek
Summary: The article describes Quercetin as an inhibitor of tyrosinase, but previous literature has firmly established it as a substrate of the enzyme and an antioxidant that reduces tyrosinase-generated o-quinones.
FOOD RESEARCH INTERNATIONAL
(2022)
Review
Biochemistry & Molecular Biology
Heba A. S. El-Nashar, Mariam I. Gamal El-Din, Lucian Hritcu, Omayma A. Eldahshan
Summary: Tyrosinase is a crucial enzyme in melanin synthesis, while excessive accumulation of melanin or overexpression of tyrosinase can lead to skin disorders. Flavonoids, a diverse natural class of compounds, exhibit antioxidant and tyrosinase inhibitor activities with a variety of mechanistic approaches.
Article
Biochemistry & Molecular Biology
Shristi Modanwal, Akhilesh Kumar Maurya, Saurav Kumar Mishra, Nidhi Mishra
Summary: Obesity/overweight is recognized as a major metabolic disorder, associated with other metabolic diseases such as cardiovascular disorders, type 2 diabetes, and cancer. The development of novel drugs for obesity is crucial, with Pancreatic Lipase being the best target.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Applied
Yajing Fang, Weiwei Cao, Fuqiang Liang, Mengmeng Xia, Siyi Pan, Xiaoyun Xu
Article
Agriculture, Multidisciplinary
Yajing Fang, Mengmeng Xia, Fuqiang Liang, Weiwei Cao, Siyi Pan, Xiaoyun Xu
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2019)
Article
Biochemistry & Molecular Biology
Fuqiang Liang, Weiwei Cao, Yuting Huang, Yajing Fang, Yuxin Cheng, Siyi Pan, Xiaoyun Xu
Article
Food Science & Technology
Yuxin Cheng, Ting Wu, Xueqi Chu, Shuxin Tang, Weiwei Can, Fuqiang Liang, Yajing Fang, Siyi Pan, Xiaoyun Xu
LWT-FOOD SCIENCE AND TECHNOLOGY
(2020)
Article
Chemistry, Physical
Weiwei Cao, Yajing Fang, Ting Wu, Fuqiang Liang, Yuxin Cheng, Mahmoud Salah, Siyi Pan, Xiaoyun Xu
JOURNAL OF MOLECULAR STRUCTURE
(2020)
Article
Entomology
Jiayi Shi, Tai Zhang, Tingting Wang, Fuqiang Liang
JOURNAL OF STORED PRODUCTS RESEARCH
(2020)
Article
Food Science & Technology
Fuqiang Liang, Yumeng Shi, Jiayi Shi, Tai Zhang, Ran Zhang
Summary: Novel ACE inhibitory peptide IAF from pumpkin seed proteins showed significant inhibition ability by forming stabilization complex, suggesting a promising candidate for controlling hypertension.
EUROPEAN FOOD RESEARCH AND TECHNOLOGY
(2021)
Article
Food Science & Technology
Fuqiang Liang, Yumeng Shi, Weiwei Cao, Jiayi Shi
Summary: This study elucidated the inhibition mechanism of apigenin against PPL and comprehensively revealed its anti-obesity molecular basis through network pharmacology. Apigenin inhibited PPL and regulated multiple key targets and pathways to exhibit its anti-obesity effects beyond PPL inhibition.
Article
Food Science & Technology
Tai Zhang, Jiayi Shi, Fuqiang Liang, Yumeng Shi, Ran Zhang
Summary: This study examined the effects of rice glutelin digestion during storage on its biological activity and ability to modulate the gut microbiota. The results showed that after 2 days of storage, the glutelin's structural changes led to enhanced biological activity and increased abundance of certain bacterial species in the gut. However, prolonged storage resulted in decreased biological activity and changes in the composition of gut microbiota. Overall, the stability of glutelin structure played a crucial role in its biological activity and modulation of gut microbiota.
JOURNAL OF CEREAL SCIENCE
(2022)
Article
Chemistry, Applied
Fuqiang Liang, Yumeng Shi, Jiayi Shi, WeiWei Cao
Summary: This study investigated the interaction between apigenin and pumpkin seed protein (PSP) using multi-spectroscopic analysis and molecular simulation approaches. The results showed that apigenin interacted with PSP through hydrophobic interactions. Molecular docking and molecular dynamics simulations revealed that apigenin maintained binding stability in the hydrophobic pockets of the protein. The interaction induced changes in the protein's structure and conformation. This study provides theoretical evidence for the potential application of PSP and apigenin complex products in the food industry.
FOOD HYDROCOLLOIDS
(2023)
Article
Biochemistry & Molecular Biology
Yuxin Cheng, Ting Wu, Shuxin Tang, Fuqiang Liang, Yajing Fang, Weiwei Cao, Siyi Pan, Xiaoyun Xu
Article
Biochemistry & Molecular Biology
Yuxin Cheng, Shuxin Tang, Yuting Huang, Fuqiang Liang, Yajing Fang, Siyi Pan, Ting Wu, Xiaoyun Xu