Article
Chemistry, Inorganic & Nuclear
Yiran Wang, Masayuki Fukuda, Sergey Nikolaev, Atsushi Miyake, Kent J. Griffith, Matthew L. Nisbet, Emily Hiralal, Romain Gautier, Brandon L. Fisher, Masashi Tokunaga, Masaki Azuma, Kenneth R. Poeppelmeier
Summary: This study investigates a novel molecular tetramer compound composed of triangular CuV2 fragments and reveals drastically different coupling strengths of superexchange Cu-V interactions in the presence of similar bond angles. By analyzing the magnetic orbitals and crystal field, the origin of the disparity is identified and compared with a similar chain compound. The findings highlight the possibility of observing fundamentally different magnetic couplings between magnetic ions in a single spin motif.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Urszula Bachor, Ewa Drozd-Szczygiel, Remigiusz Bachor, Lucjan Jerzykiewicz, Robert Wieczorek, Marcin Maczynski
Summary: The article presents a new and unique low-weight heterocyclic compound with unusual electron charge delocalization, characterized by high ionization efficiency and dissociation in ESI-MS/MS conditions. The compound crystallizes in monoclinic space group P2(1)/c and forms a ring motif with the counter ion.
Article
Multidisciplinary Sciences
Dane Huang, Chao Zhao, Ruyue Li, Bingyi Chen, Yuting Zhang, Zhejun Sun, Junkang Wei, Huihao Zhou, Qiong Gu, Jun Xu
Summary: This study reports an approach to identify selective and druggable binding sites on protein surfaces for designing anti-osteoporotic drugs. A specific binding site was discovered that allows disruption of a particular protein interaction without interfering with other related interactions. The developed inhibitor demonstrates specificity and anti-osteoporotic effects through in vitro and in vivo studies.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Medicinal
Frauke Antoni, David Wifling, Guenther Bernhardt
Summary: This study focused on improving the solubility of ABCG2 inhibitors through a fragment-based approach, resulting in the discovery of novel inhibitors with improved solubility. These inhibitors exhibited good resistance in experiments, were non-toxic, and remained stable under various conditions.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Ryuichi Fujita, Shoko Yoshida, Haruka Kano, Kyohei Matsuo, Hironobu Hayashi, Hiroko Yamada, Naoki Aratani
Summary: In this study, a stable and soluble hexarylene compound was successfully synthesized through an oxidative fusion reaction. The compound showed a sharp peak at 831 nm in the absorption spectrum and exhibited stability under ambient conditions, making it a potential material for near-infrared applications.
CHINESE JOURNAL OF CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Akash Sajeev-Sheeja, Eva Smorodina, Shuguang Zhang
Summary: This study analyzed the structural bioinformatics of five outer membrane beta-barrel proteins and their corresponding QTY variant structures predicted by AlphaFold2. The results showed remarkable structural similarity between the native proteins and QTY variants, despite the replacement of at least 22% of the amino acids in the transmembrane regions. The study also revealed differences in hydrophobicity patches between the native proteins and QTY variants. These findings provide important insights into the differences between hydrophobic and hydrophilic beta-barrels and validate the use of the QTY code for studying membrane proteins and other hydrophobic aggregated proteins.
Article
Immunology
Dongmei Yan, Dongyan Wang, Yong Zhang, Xiaolei Li, Haishu Tang, Jing Guan, Yang Song, Shuangli Zhu, Wenbo Xu
Summary: The switch from trivalent oral poliovirus vaccine (tOPV) to bivalent OPV (bOPV) in China significantly increased immunity against types 1 and 3, but saw a significant decrease in immunity against type 2. This poses a high risk of type 2 vaccine-derived poliovirus emergence and transmission.
JOURNAL OF INFECTIOUS DISEASES
(2021)
Article
Chemistry, Multidisciplinary
Jordan M. Mattheisen, Chris Limberakis, Roger B. Ruggeri, Matthew S. Dowling, Christopher W. am Ende, Emilie Ceraudo, Thomas Huber, Christopher L. McClendon, Thomas P. Sakmar
Summary: We developed a strategy to covalently tether drug fragments adjacent to allosteric sites in GPCRs to enhance their potency and enable fragment-based drug screening in cell-based systems.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Li Jiang, Jiangtao Jia, Yongchang Zhai, Zhiqiang Zhao, Yu Chen, Fengchao Cui, Yuyang Tian, Bian Zheng, Hongkun Tian, Chuanqing Kang, Lianxun Gao, Mohamed Eddaoudi, Zhu Guangshan
Summary: By incorporating a long side chain, electron-withdrawing ester groups, and using chloroform as a solvent during polymerization, solubility and stability can be imparted to the copper(i) arylacetylide polymer.
CHEMICAL COMMUNICATIONS
(2021)
Article
Biochemistry & Molecular Biology
Muhammad Faheem, Napoleao Fonseca Valadares, Jose Brandao-Neto, Dom Bellini, Patrick Collins, Nicholas M. Pearce, Louise Bird, Juliana Roberta Torini, Raymond Owens, Humberto DMuniz Pereira, Frank Von Delft, Joao Alexandre Ribeiro Goncalves Barbosa
Summary: Schistosomiasis is an endemic disease in 78 countries, ranking second among parasitic diseases in terms of its socioeconomic impact and human health importance. The drug of choice for treatment, praziquantel, has limitations such as unclear mechanism, high cost, efficacy only against adult parasites, and reports of resistance. The lack of a de novo purine pathway in the parasites makes the purine salvage pathway an attractive target for the development of necessary and selective drugs.
BIOCHEMICAL JOURNAL
(2021)
Article
Biochemistry & Molecular Biology
Sandra Wymann, Yun Dai, Anup G. Nair, Helen Cao, Glenn A. Powers, Anna Schnell, Genevieve Martin-Roussety, David Leong, Jason Simmonds, Kim G. Lieu, Mitchell J. de Souza, Marcel Mischnik, Shirley Taylor, Saw Yen Ow, Martin Spycher, Rebecca E. Butcher, Martin Pearse, Adrian W. Zuercher, Adriana Baz Morelli, Con Panousis, Michael J. Wilson, Tony Rowe, Matthew P. Hardy
Summary: This study identified a truncated soluble form of HuCR1, designated CSL040, as a more potent inhibitor of complement activation compared to other truncation variants. The pharmacokinetic studies in mice revealed that the level of sialylation is a major determinant of CSL040 clearance in vivo. In an experimental model of complement-mediated kidney damage, CSL040 showed significant attenuation of kidney damage, making it a potential therapeutic candidate for complement-mediated disorders.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Cheng Zhang, Nuria Codina, Jiazhi Tang, Haoran Yu, Nesrine Chakroun, Frank Kozielski, Paul A. Dalby
Summary: The research findings highlighted the different destabilizing pathways of protein structure under low pH and high temperature stress conditions, revealing the potential for stabilizing mutations in the CL domain and C-L-C(H)1 interface. The analysis also identified key salt bridge losses as a cause of conformational changes under different stresses, with implications for future engineering efforts to enhance stability.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL
(2021)
Article
Biochemistry & Molecular Biology
Salman Shahid, Mingming Gao, D. Travis Gallagher, Edwin Pozharski, Robert G. Brinson, Zhen-Yong Keck, Steven K. H. Foung, Thomas R. Fuerst, Roy A. Mariuzza
Summary: This study elucidated the crystal structure of a bivalent domain-swapped Fab dimer, which recognizes the E2 envelope glycoprotein of HCV. The dimerization is mediated by the deletion of a single residue, leading to a unique Fab structure that can be used as a fiducial marker for single-particle cryoEM analysis of HCV E2. Bivalent domain-swapped Fab dimers engineered based on this structure may also serve as a means of doubling the effective size of conventional Fab-protein complexes for cryoEM.
JOURNAL OF MOLECULAR BIOLOGY
(2021)
Article
Microbiology
Longfa Xu, Qingbing Zheng, Rui Zhu, Zhichao Yin, Hai Yu, Yu Lin, Yuanyuan Wu, Maozhou He, Yang Huang, Yichao Jiang, Hui Sun, Zhenghui Zha, Hongwei Yang, Qiongzi Huang, Dongqing Zhang, Zhenqin Chen, Xiangzhong Ye, Jinle Han, Lisheng Yang, Che Liu, Yuqiong Que, Mujin Fang, Ying Gu, Jun Zhang, Wenxin Luo, Z. Hong Zhou, Shaowei Li, Tong Cheng, Ningshao Xia
Summary: This study elucidates the structural changes at different stages of Coxsackievirus B infectivity, demonstrating the crucial role of CAR in the process of virus entry and revealing the fundamental structural basis of viral invasion mechanisms.
CELL HOST & MICROBE
(2021)
Article
Biochemistry & Molecular Biology
Alena D. Gassan, Anton A. Ivanov, Tatiana N. Pozmogova, Ilia Eltsov, Natalia Kuratieva, Yuri Mironov, Michael A. Shestopalov
Summary: In this study, two cluster complexes with hydrophilic carboxylic group-containing phosphine ligands were synthesized and characterized. The results showed that these complexes had good hydrolytic stability and very low cytotoxicity, indicating their potential for biomedical applications.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Immunology
Xiujuan Zhang, Xiaohui Ding, Yuanmei Zhu, Huihui Chong, Sheng Cui, Jinsheng He, Xinquan Wang, Yuxian He
Article
Multidisciplinary Sciences
Xiao Liu, Tai An, Dongdong Li, Zheng Fan, Pan Xiang, Chen Li, Wenyi Ju, Jianing Li, Gen Hu, Bo Qin, Bin Yin, Justyna Aleksandra Wojdyla, Meitian Wang, Jiangang Yuan, Boqin Qiang, Pengcheng Shu, Sheng Cui, Xiaozhong Peng
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2019)
Article
Virology
Xiuzhu Geng, Zixuan Liu, Danwei Yu, Bo Qin, Yuanmei Zhu, Sheng Cui, Huihui Chong, Yuxian He
Article
Virology
Danwei Yu, Yang Su, Xiaohui Ding, Yuanmei Zhu, Bo Qin, Huihui Chong, Sheng Cui, Yuxian He
Article
Chemistry, Multidisciplinary
Xiaopan Gao, Kaixiang Zhu, Justyna Wojdyla, Pu Chen, Bo Qin, Ziheng Li, Meitian Wang, Sheng Cui
Article
Biology
Xia Yu, Xiaopan Gao, Kaixiang Zhu, Han Yin, Xujian Mao, Justyna Aleksandra Wojdyla, Bo Qin, Hairong Huang, Meitian Wang, Yi-Cheng Sun, Sheng Cui
COMMUNICATIONS BIOLOGY
(2020)
Article
Pharmacology & Pharmacy
Xiaopan Gao, Bo Qin, Pu Chen, Kaixiang Zhu, Pengjiao Hou, Justyna Aleksandra Wojdyla, Meitian Wang, Sheng Cui
Summary: This study provided structural frameworks for PLpro inhibitor design targeting SARS-CoV-2, showing that existing SARS-CoV PLpro inhibitors have some efficacy against SARS-CoV-2 and explored the inhibition mechanism of GRL0617.
ACTA PHARMACEUTICA SINICA B
(2021)
Article
Multidisciplinary Sciences
Wei Hao, Bo Ma, Ziheng Li, Xiaoyu Wang, Xiaopan Gao, Yaohao Li, Bo Qin, Shiying Shang, Sheng Cui, Zhongping Tan
Summary: The study found that the spike proteins and subunits of SARS-CoV-2, SARS-CoV, and MERS-CoV can bind to heparan sulfate (HS) in a sulfation-dependent manner, with no binding to sialic acid residues detected. This suggests that HS binding may be a general mechanism for these coronaviruses to attach to host cells.
Article
Multidisciplinary Sciences
Xiaopan Gao, Kaixiang Zhu, Bo Qin, Vincent Olieric, Meitian Wang, Sheng Cui
Summary: Orf9b, a unique accessory protein of SARS-CoV-2 and SARS-CoV, interacts with TOM70 to potentially interfere with immunity and suppress interferon responses by inhibiting the Hsp90/TOM70 interaction. The specific mechanisms of these interactions shed light on the pathogenesis of these coronaviruses.
NATURE COMMUNICATIONS
(2021)
Article
Biochemistry & Molecular Biology
Xiaopan Gao, Xia Yu, Kaixiang Zhu, Bo Qin, Wei Wang, Pu Han, Justyna Aleksandra Wojdyla, Meitian Wang, Sheng Cui
Summary: Mycobacterium tuberculosis (Mtb) caused approximately 10 million tuberculosis cases and 1.2 million deaths globally in 2019. The crystal structure of Mtb EF-G1 in complex with GDP provides a valuable platform for fragment-based screening and aids in the identification of potential EF-G1 inhibitors for drug discovery.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Pu Chen, Justyna Aleksandra Wojdyla, Ombretta Colasanti, Zhijian Li, Bo Qin, Meitian Wang, Volker Lohmann, Sheng Cui
Summary: This study identified a previously unfound activity of HAV 2C, which is a ribonuclease activity. The crystal structure of an HAV 2C fragment was determined, and the importance of the PBD-Pocket interaction for 2C functions was demonstrated. Furthermore, it was found that other picornavirus 2Cs also possess ribonuclease activity.
NUCLEIC ACIDS RESEARCH
(2022)
Article
Multidisciplinary Sciences
Xiaopan Gao, Huabin Tian, Kaixiang Zhu, Qing Li, Wei Hao, Linyue Wang, Bo Qin, Hongyu Deng, Sheng Cui
Summary: This study reveals the molecular basis for the antagonistic function of Sarbecovirus ORF6 and suggests a potential strategy for immunosuppressive drug development using ORF6 CTT-derived peptides.
NATURE COMMUNICATIONS
(2022)
Article
Biochemistry & Molecular Biology
Pengjiao Hou, Wei Hao, Bo Qin, Mengyun Li, Rong Zhao, Sheng Cui
Summary: Schlafen11 is a well-studied protein that plays important roles in cancer therapy and virus-host interactions. The crystal structure and biochemical characteristics of the N-terminal domain (NTD) of Schlafen11 were determined, revealing its potent RNase activity towards type I and II tRNAs and rRNAs. These findings enhance our understanding of the Schlafen family.
NUCLEIC ACIDS RESEARCH
(2023)
Article
Multidisciplinary Sciences
Bo Qin, Ziheng Li, Kaiming Tang, Tongyun Wang, Yubin Xie, Sylvain Aumonier, Meitian Wang, Shuofeng Yuan, Sheng Cui
Summary: This study reveals that SARS-CoV-2 SUD has druggable sites for antiviral development and identifies theaflavin 3,3'-digallate as a potent SUD binder with anti-SARS-CoV-2 activity.
NATURE COMMUNICATIONS
(2023)
Article
Cell Biology
Shuofeng Yuan, Xiaopan Gao, Kaiming Tang, Jian-Piao Cai, Menglong Hu, Peng Luo, Lei Wen, Zi-Wei Ye, Cuiting Luo, Jessica Oi-Ling Tsang, Chris Chun-Yiu Chan, Yaoqiang Huang, Jianli Cao, Ronghui Liang, Zhenzhi Qin, Bo Qin, Feifei Yin, Hin Chu, Dong-Yan Jin, Ren Sun, Jasper Fuk-Woo Chan, Sheng Cui, Kwok-Yung Yuen
Summary: The study identifies a noncovalent lead inhibitor, F0213, with broad-spectrum antiviral activity against various coronaviruses, including SARS-CoV-2. The compound provides protection in animal models and exhibits dual therapeutic functionality by inhibiting viral polyprotein cleavage and promoting antiviral immunity. The mode of inhibition differs between SARS2-PLpro and MERS-PLpro. These findings suggest that targeting the papain-like protease domain could be a potential strategy for developing pan-coronaviral therapeutics.