Article
Multidisciplinary Sciences
Tek Narsingh Malla, Kara Zielinski, Luis Aldama, Sasa Bajt, Denisse Feliz, Brendon Hayes, Mark Hunter, Christopher Kupitz, Stella Lisova, Juraj Knoska, Jose Manuel Martin-Garcia, Valerio Mariani, Suraj Pandey, Ishwor Poudyal, Raymond G. Sierra, Alexandra Tolstikova, Oleksandr Yefanov, Chung Hong Yoon, Abbas Ourmazd, Petra Fromme, Peter Schwander, Anton Barty, Henry N. Chapman, Emina A. Stojkovic, Alexander Batyuk, Sebastien Boutet, George N. Phillips, Lois Pollack, Marius Schmidt
Summary: This study used mix-and-inject serial crystallography to trace atomic positions and elucidate essential enzymatic functions at the atomic level. The results reveal detailed information about ligand binding heterogeneity, ligand gating, cooperativity, induced fit, and conformational selection from the same set of data, providing insights into the inhibition of Mycobacterium tuberculosis enzyme by sulbactam.
NATURE COMMUNICATIONS
(2023)
Article
Immunology
Dariusz A. Hareza, Sara E. Cosgrove, Patricia J. Simner, Anthony D. Harris, Yehudit Bergman, Rick Conzemius, Emily Jacobs, Stephan Beisken, Pranita D. Tamma
Summary: This study investigated the clinical outcomes and optimal treatment methods for patients with ESBL-E bloodstream infections that do not produce CTX-M. The findings suggest that non-CTX-M and CTX-M ESBL-E infections are equally concerning and associated with similar clinical outcomes. Meropenem may be associated with improved survival in patients with non-CTX-M ESBL-E infections, highlighting the potential benefit of comprehensive molecular diagnostics for early antibiotic optimization in ESBL-E infections.
CLINICAL INFECTIOUS DISEASES
(2023)
Review
Microbiology
Adam B. Shapiro, Samir H. Moussa, Sarah M. McLeod, Thomas Durand-Reville, Alita A. Miller
Summary: The combination of durlobactam and sulbactam effectively inhibits multidrug-resistant Acinetobacter strains, enhancing the clinical utility of sulbactam.
FRONTIERS IN MICROBIOLOGY
(2021)
Article
Microbiology
Sun Hee Moon, En Huang
Summary: Understanding cefiderocol resistance mechanisms is crucial for developing solutions against infections and resistance development. Cefiderocol resistance in Klebsiella pneumoniae AR 0047 is associated with SHV beta-lactamase activities and loss of the outer membrane porin. The combination of cefiderocol and avibactam presents an opportunity to enhance effectiveness against cefiderocol-resistant pathogens.
MICROBIOLOGY SPECTRUM
(2023)
Article
Biochemistry & Molecular Biology
Shuo Lu, Miranda Montoya, Liya Hu, Neetu Neetu, Banumathi Sankaran, B. V. Venkataram Prasad, Timothy Palzkill
Summary: CTX-M beta-lactamases are widespread in Gram-negative bacteria and play a significant role in resistance to beta-lactam antibiotics. This study investigates the preference of CTX-M enzymes for cephalosporins through alanine mutagenesis, revealing key active site residues that contribute to catalysis and specificity. The impact of substitutions on the structure of the active site is also examined.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2023)
Review
Pharmacology & Pharmacy
Amer El-Ghali, Ashlan Kunz J. Coyne, Kaylee Caniff, Callan Bleick, Michael J. Rybak
Summary: SUL-DUR is a novel beta-lactam-beta-lactamase inhibitor designed for the treatment of carbapenem-resistant Acinetobacter baumannii (CRAB) infections. The FDA's fast-track approval for SUL-DUR is pending after the completion of the phase III ATTACK trial, which showed that SUL-DUR was non-inferior to colistin with a better safety profile. With limited treatment options available, SUL-DUR holds promise for the treatment of CRAB infections.
Article
Microbiology
Anna R. Holtmann, Diana Meemken, Anja Mueller, Diana Seinige, Kathrin Buettner, Klaus Failing, Corinna Kehrenberg
Summary: This study revealed the presence of ESBL-/AmpC-E. coli in wild boars, with a significant positive association with human population density. The E. coli isolates carried various β-lactamase genes and showed multiple drug resistances.
Article
Biochemistry & Molecular Biology
Sangita Sarma, Banani Deka, Pankaj Pradeep Panyang, Anil Kumar Singh
Summary: The study identified novel mutations of beta-lactamase and their clinical importance in Enterobacteriaceae family, highlighting the resistance pattern and molecular mechanisms in bacteria isolated from acute diarrheal patients. The identified mutations in BlaSHV protein and their interactions with antibiotics provide insight into antibiotic resistance in Klebsiella pneumoniae isolates.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Microbiology
Alireza Barani, Akram Sadat Tabatabaee Bafroee, Leila Jabalameli
Summary: This study in Ahvaz, Iran found a high prevalence of ESBL genes among intestinal E. coli isolates from drug users, with bla-TEM gene being the most prevalent. The multidrug resistance (MDR) patterns, especially simultaneous resistance to seven antimicrobials, highlight the risk of transferring resistance genes between nonpathogenic and pathogenic bacteria.
ARCHIVES OF MICROBIOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Wen-Mei Wei, Yan-Li Xu, Ren-Hui Zheng, Tingting Zhao, Weijun Fang, Yi-De Qin
Summary: The study investigates the acylate reaction of beta-lactamase with penicillin G using density functional theory and a cluster approach. It reveals two reaction paths with different energy barriers: one relatively small and the reaction easily occurs, while the other large and making the reaction difficult to occur. The reason for the difference in barriers between the two paths is explained.
Article
Chemistry, Multidisciplinary
Catherine L. Tooke, Philip Hinchliffe, Michael Beer, Kirill Zinovjev, Charlotte K. Colenso, Christopher J. Schofield, Adrian J. Mulholland, James Spencer
Summary: KPC-2 is a carbapenemase that confers resistance to β-lactam antibiotics in Gram-negative pathogens. The flexible a-loop in KPC-2 plays a role in catalytic activity, while carbapenemase activity is mainly due to efficient deacylation of the A2-enamine acyl-enzyme tautomer. Quantum mechanics/molecular mechanics simulations reveal the specific reactivity of the two isomers.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Microbiology
Fengzhen Yang, Qi Zhao, Lipeng Wang, Jinying Wu, Lihua Jiang, Li Sheng, Leyan Zhang, Zhaoping Xue, Maoli Yi
Summary: This study identified bacteria strains that were resistant to cefoperazone/sulbactam and piperacillin/tazobactam, but susceptible to ceftriaxone. Whole-genome sequencing and antibiotic susceptibility tests revealed that the resistance was associated with narrow spectrum beta-lactamases and outer membrane protein mutations.
POLISH JOURNAL OF MICROBIOLOGY
(2022)
Article
Infectious Diseases
Cristina Lasarte-Monterrubio, Juan C. Vazquez-Ucha, Maria Maneiro, Jorge Arca-Suarez, Isaac Alonso, Paula Guijarro-Sanchez, John D. Buynak, German Bou, Concepcion Gonzalez-Bello, Alejandro Beceiro
Summary: Combining LN-1-255 with imipenem, meropenem, cefepime, and sulbactam shows promising results in reducing resistance rates of Acinetobacter baumannii, especially carbapenem-resistant isolates, demonstrating a potential new strategy for the treatment of infections caused by this pathogen.
Article
Biochemistry & Molecular Biology
Philip Hinchliffe, Karina Calvopina, Patrick Rabe, Maria F. Mojica, Christopher J. Schofiled, Gary I. Dmitrienko, Robert A. Bonomo, Alejandro J. Vila, James Spencer
Summary: L1 is a dizinc subclass B3 metallo-beta-lactamase that plays a key role in antibiotic resistance in Stenotrophomonas maltophilia. It hydrolyzes beta-lactam antibiotics and is resistant to current MBL inhibitors. This study provides insights into the structure and mechanism of L1 through kinetic studies and crystal structures, offering potential for the development of new antibiotics and inhibitors.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Zheng Guo, Jinglei Xie, Tao Hu, Yunrong Chen, Houchao Tao, Xiaoyu Yang
Summary: An efficient kinetic resolution of N-aryl beta-amino alcohols has been achieved via asymmetric para-aminations of anilines with azodicarboxylates catalyzed by chiral phosphoric acid. This method offers broad substrate scope and high kinetic resolution performances, with control experiments confirming the critical roles of NH and OH groups in these reactions.
CHEMICAL COMMUNICATIONS
(2021)
Article
Biochemistry & Molecular Biology
Yeng-Tseng Wang, Tian-Lu Cheng
Summary: MDM2 and MDMX are potential targets for p53-dependent cancer therapy. Researchers used advanced computational methods to investigate the interactions between MDM2/MDMX and cyclic peptide-based inhibitors, aiming to improve the accuracy of peptide-protein structural prediction for cyclic peptide drug design. Advancements in computing power and methods hold promise for addressing challenges in cyclic peptide drug design.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biochemistry & Molecular Biology
Shih-Ting Hong, Yu-Cheng Su, Yu-Jen Wang, Tian-Lu Cheng, Yeng-Tseng Wang
Summary: The study developed an engineered version of Humira (W1-Humira) that can bind to TNF alpha at neutral pH and dissociate from TNF alpha at acidic pH. The engineered Humira showed pH-dependent affinity in vitro, with predicted results closely matching experimental findings. The approach demonstrated high accuracy in predicting antibody pH-dependent binding characteristics, potentially aiding in antibody drug design with advancements in computational methods and computing power.
Article
Chemistry, Multidisciplinary
Hong-Li Huang, Xiya Guan, Haibo Li, Ruiqing Li, Rui Li, Suyuan Zeng, Shuo Tao, Qingxia Yao, Hongyan Chen, Konggang Qu
Summary: A common iridium(iii) complex was used to easily prepare ultrafine Ir nanoclusters embedded in porous N-doped carbon. The resulting material exhibited significant bifunctional activity for both hydrogen evolution and hydrazine oxidation under alkaline conditions, enabling energy-efficient hydrogen production.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Analytical
Yi-Shan Li, Yeng-Tseng Wang, Wei-Lung Tseng, Chi-Yu Lu
Summary: This study developed a peptide-based chiral derivatization reagent for the successful separation and quantitation of the (R) and (S) forms of ibuprofen in nano-scale liquid chromatography. Using a suitable cysteine oxidation state, the peptide as a chiral derivatization reagent enabled the separation of enantiomers in commercial tablets and plasma samples. Computational simulations also suggested that the oxidation state of cysteine affects solute-solvent hydrogen bond formation, influencing the separation efficiency on the C18 column.
MICROCHEMICAL JOURNAL
(2022)
Article
Biotechnology & Applied Microbiology
Yuan-Chin Hsieh, Jun-Min Liao, Kuo-Hsiang Chuang, Kai-Wen Ho, Shih-Ting Hong, Hui-Ju Liu, Bo-Cheng Huang, I-Ju Chen, Yen-Ling Liu, Jaw-Yuan Wang, Hsiang-Lin Tsai, Yu-Cheng Su, Yen-Tseng Wang, Tian-Lu Cheng
Summary: A computer simulation-based V(D)J recombination platform was developed to predict the binding affinity of humanized antibodies and successfully identify high-affinity antibodies. This platform can facilitate the development of humanized antibodies with low immunogenicity and high binding affinities.
JOURNAL OF NANOBIOTECHNOLOGY
(2022)
Article
Virology
Wen-Wei Lin, Yi-Jung Huang, Yen-Tseng Wang, Yun-Syuan Lin, Nonsikelelo Mazibuko, Chien-Shu Chen, Tian-Lu Cheng, Chih-Shiang Chang, Yu-Ling Leu, Chiao-Yun Chen, Chih-Hung Chuang
Summary: This study identified a small molecule inhibitor, compound 8, that can inhibit the replication and spread of Zika virus. In a mouse model, compound 8 significantly delayed Zika virus-induced mortality and illness symptoms, and reduced Zika virus-induced weight loss.
Article
Chemistry, Analytical
Mu-Shen Chang, Chia-Yi Lee, En-Shuo Liu, Hsuan Chao, Hsin-Yu Wu, Yu-Yen Chang, Yen-Ling Liu, Yu-Tung Chen, Yu-Cheng Su, Yeng-Tseng Wang, Tian-Lu Cheng, Chia-Hung Yen, Cheng-Wei Lin, Hsin-Kai Huang, Wen-Wei Lin
Summary: Researchers have developed a new gene reporter system called mHRP, which uses a cell membrane-expressed HRP to preserve enzymatic activity on the cell surface, avoiding cell lysis and the use of expensive luciferase substrates. The mHRP system provides stable detection signals and has a longer substrate half-life.
ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Xiangcui Qiu, Li Dai, Haibo Li, Konggang Qu, Rui Li
Summary: This study uses molecular dynamics simulations to investigate the effect of different organic molecules on the pillaring of MXene. The results show that the pillaring effect of MXene is influenced by factors such as the type, quantity, and molecular structure of the organic molecules. Isopropylamine demonstrates the most favorable pillaring effect on MXene.
Article
Chemistry, Physical
Simeng Zhao, Yankai Zhang, Haibo Li, Suyuan Zeng, Rui Li, Qingxia Yao, Hongyan Chen, Yao Zheng, Konggang Qu
Summary: Integrating the hydrogen evolution reaction (HER) with the hydrazine oxidation reaction (HzOR) can lead to the development of a novel electrolytic system for energy-efficient H-2 production. Alloy materials, as alternatives to Pt, can exhibit enhanced catalytic activity and bifunctionality. The study successfully synthesized ultrafine RuPd alloy nanoparticles onto pretreated activated carbon (RuPd/C), which showed improved dispersion and tailored electronic properties, resulting in significantly boosted bifunctional performance for alkaline HER and HzOR.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Tong Shao, Xiaoshuang Wang, Rentian Guan, Suyuan Zeng, Rui Li, Min Hong, Qiaoli Yue
Summary: In this study, carbonized polymer dots (CPDs) were proposed for the quantitive detection of chlortetracycline (CTC) based on aggregation induced emission. The synthesis of CPDs was achieved by a one-step hydrothermal assay using polyethylene imine as the sole precursor. CPDs exhibited bright blue fluorescence and showed a significant enhancement when combined with CTC. Increasing CTC concentration caused a change in CPDs fluorescence color from bright blue to dark blue, accompanied by a shift in maximum emission wavelength. The developed CPDs probe showed good linear response and a low detection limit for CTC.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Li Dai, Jiahao Zhao, Qin Li, Maohui Chen, Haibo Li, Konggang Qu, Rui Li
Summary: This study investigates the effect of layer spacing in MXene materials on the performance of sodium-ion batteries, revealing that larger layer spacings enhance the adsorption and storage capacity of sodium. The optimal layer spacings for Ti2CO2 and Ti3C2O2 are determined, providing valuable theoretical guidance for the development of high-performance anode materials for sodium-ion batteries.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Yeng-Tseng Wang, Jun-Min Liao, Wen-Wei Lin, Chia-Ching Li, Bo-Cheng Huang, Tian-Lu Cheng, Tun-Chieh Chen
Summary: This study investigates the binding mechanisms between Nirmatrelvir and 3CLpro protein and provides valuable insights for designing antiviral drugs.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Yuting Zhang, Xuelu Dong, Haibo Li, Shuling Xu, Rui Li, Suyuan Zeng, Chonggang Fu, Lei Wang
Summary: This study investigates the preparation of different morphologies of alpha-MoO3 through a facile method and their application as anodes in lithium-ion batteries. The results show that the strip-like alpha-MoO3 microstructure exhibits excellent reversible capacity and cycling performance, indicating its promising potential in lithium-ion batteries.
Correction
Chemistry, Multidisciplinary
Bo-Cheng Huang, Yun-Chi Lu, Jun-Min Liao, Hui-Ju Liu, Shih-Ting Hong, Yuan-Chin Hsieh, Chih-Hung Chuang, Huei-Jen Chen, Tzu-Yi Liao, Kai-Wen Ho, Yeng-Tseng Wang, Tian-Lu Cheng