Search

Your search keyword '"Duan, Yanwen"' showing total 430 results
Start Over Author "Duan, Yanwen"
430 results on '"Duan, Yanwen"'

75. Undescribed benzophenone and xanthones from cave-derived Streptomyces sp. CB09001.

Author

Jiang, Lin, Xiang, Jingxi, Zhu, Saibin, Tang, Danfeng, Gong, Bang, Pu, Hong, Duan, Yanwen, and Huang, Yong

Subjects
STREPTOMYCES, GENE silencing, GENE clusters, POLYKETIDES
Abstract

A new benzophenone huanglongmycin (HLM) D (1) and two new monomeric xanthones huanglongmycin E (2) and F (3), together with four known aromatic polyketides aloesaponarin II (4) and the previously isolated huanglongmycin A-C (5–7) were obtained from cave-derived Streptomyces sp. CB09001. The structures of 1–3 were established based on 1D, 2D NMR and HRMS data. Compounds 1–7 may be biosynthesized by a type II huanglongmycin polyketide synthase based on gene inactivation of hlmG encoding KSɑ in hlm gene cluster and their plausible biosynthetic mechanism was proposed. [ABSTRACT FROM AUTHOR]

Published
2022
Full Text
View/download PDF

81. point cloud-based deep learning strategy for protein–ligand binding affinity prediction.

Author

Wang, Yeji, Wu, Shuo, Duan, Yanwen, and Huang, Yong

Subjects
DEEP learning, MULTILAYER perceptrons, LIGANDS (Biochemistry), PROTEIN-ligand interactions, MACHINE learning, POINT cloud
Abstract

There is great interest to develop artificial intelligence-based protein–ligand binding affinity models due to their immense applications in drug discovery. In this paper, PointNet and PointTransformer, two pointwise multi-layer perceptrons have been applied for protein–ligand binding affinity prediction for the first time. Three-dimensional point clouds could be rapidly generated from PDBbind-2016 with 3772 and 11 327 individual point clouds derived from the refined or/and general sets, respectively. These point clouds (the refined or the extended set) were used to train PointNet or PointTransformer, resulting in protein–ligand binding affinity prediction models with Pearson correlation coefficients R  = 0.795 or 0.833 from the extended data set, respectively, based on the CASF-2016 benchmark test. The analysis of parameters suggests that the two deep learning models were capable to learn many interactions between proteins and their ligands, and some key atoms for the interactions could be visualized. The protein–ligand interaction features learned by PointTransformer could be further adapted for the XGBoost-based machine learning algorithm, resulting in prediction models with an average Rp of 0.827, which is on par with state-of-the-art machine learning models. These results suggest that the point clouds derived from PDBbind data sets are useful to evaluate the performance of 3D point clouds-centered deep learning algorithms, which could learn atomic features of protein–ligand interactions from natural evolution or medicinal chemistry and thus have wide applications in chemistry and biology. [ABSTRACT FROM AUTHOR]

Published
2022
Full Text
View/download PDF

92. Eurotium cristatum, a new fungi probiotic from Fuzhuan brick tea, alleviated obesity in mice by modulating gut microbiota: Supporting Information

Author

Kang, Dingding, Su, Meng, Duan, Yanwen, and Huang, Yong

Subjects
digestive system
Abstract

Obesity is one of the major public health problems worldwide, mainly resulting from unhealthy lifestyles and diet. Gut microbiota dysbiosis may also lead to obese humans and animals. Modulating gut bacteria through fecal transplantation, the use of probiotics or certain dietary supplements, could normalize gut microbiota and subsequently alleviate obesity. Daily consumption of Fuzhuan brick tea (FBT) or its extracts has been observed to alleviate obesity in humans and experimental animals. In this study, high-fat diet-induced dysbiosis of gut microbiota in C57BL/6J mice was partially reversed by consumption of Eurotium cristatum, the dominant fungi during the manufacturing and storage of FBT. E. cristatum was able to modulate both gut fungi and bacteria composition, based on the analysis of microbiota composition of mice fecal samples. E. cristatum increased acetate and butyrate-producing bacteria in mice gut, and produced five times more butyrate than both obese and normal mice. Our results suggested that E. cristatum may be used as a fungi probiotic to beneficially modulate gut microbiota and to alleviate obesity in humans.

Published
2019
Full Text
View/download PDF

93. The semi-synthesis, biological evaluation and docking analysis of the oxime, hydrazine and hydrazide derivatives of platensimycin† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8md00081f

Author

Deng, Youchao, Kang, Dingding, Shi, Jie, Zhou, Wenqing, Sun, Aijun, Ju, Jianhua, Zhu, Xiangcheng, Shen, Ben, Duan, Yanwen, and Huang, Yong

Subjects
endocrine system, Chemistry
Abstract

A dozen oxime, hydrazine and hydrazide derivatives of platensimycin (PTM) analogues were synthesized, some of which showed strong antibacterial activities and were shown to be stable under the bioassay conditions. Docking analysis revealed that they have certain new interactions with β-ketoacyl-[acyl carrier protein] synthase II (FabF), suggesting that Schiff base formation on its terpene scaffold is an effective strategy to diversify PTM structure.

Published
2018

98. Evaluation of Platensimycin and Platensimycin-Inspired Thioether Analogues against Methicillin-Resistant Staphylococcus aureus in Topical and Systemic Infection Mouse Models

Author

Su, Meng, primary, Qiu, Lin, additional, Deng, Youchao, additional, Ruiz, Claudia H., additional, Rudolf, Jeffrey D., additional, Dong, Liao-Bin, additional, Feng, Xueqiong, additional, Cameron, Michael D., additional, Shen, Ben, additional, Duan, Yanwen, additional, and Huang, Yong, additional

Published
2019
Full Text
View/download PDF

Catalog

Books, media, physical & digital resources
See catalog results