Article
Multidisciplinary Sciences
Nico Ortlieb, Elke Klenk, Andreas Kulik, Timo Horst Johannes Niedermeyer
Summary: Natural products are valuable for drug development, and actinomycetes have been crucial for antibiotic discovery. This study developed a medium-throughput system for screening actinomycete strain collections in agar-plug assays, making it more convenient to conduct bioactivity assays against monitor strains.
Article
Chemistry, Multidisciplinary
Weibin Liang, Kate Flint, Yuchen Yao, Jiacheng Wu, Lizhuo Wang, Christian Doonan, Jun Huang
Summary: This study successfully developed a synthesis protocol for a phase-pure metal azolate framework (MAF-6) and explored its application in enzyme immobilization. The Esterase@MAF-6 biocomposite showed superior catalytic performance in transesterification reactions compared to Esterase@ZIF-8 and Esterase@ZIF-90, due to the larger pore aperture of MAF-6.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Organic
Ju Young Lee, Rohit Kumar Varshnaya, Eun Jeong Yoo
Summary: This study reported a copper-catalyzed [5+3] cycloaddition reaction for the synthesis of enantio-enriched diazocine derivatives. It was found that specific ligands and additives played significant roles in the catalytic process and preserved the induced stereoselectivity, demonstrating the potential applications of this asymmetric catalysis.
Article
Genetics & Heredity
Cerith Jones, Gordon Webster, Alex J. Mullins, Matthew Jenner, Matthew J. Bull, Yousef Dashti, Theodore Spilker, Julian Parkhill, Thomas R. Connor, John J. LiPuma, Gregory L. Challis, Eshwar Mahenthiralingam
Summary: Burkholderia gladioli is a diverse bacterium with significant ecological impacts on humans, animals, and plants, spanning diseases and beneficial interactions. Through exploring its genomic diversity and metabolic potential, it has shed light on its roles as a plant pathogen, food poisoning agent, and lung pathogen for CF patients. This research has identified potential therapeutic strategies to minimize poisoning risks associated with this bacterium.
MICROBIAL GENOMICS
(2021)
Article
Microbiology
Sumith Kumar, Christine Schmitt, Olivier Gorgette, Martial Marbouty, Magalie Duchateau, Quentin Giai Gianetto, Mariette Matondo, Jean-Michel Guigner, Hilde De Reuse
Summary: Bacterial resistance to antibiotics is a major threat to human health, and treatments combining antibiotics with metals have been proposed as an alternative. One such combination, using antibiotics with the metal bismuth, has been successfully utilized in clinics to treat Helicobacter pylori infections. This study explored the impact of bismuth on H. pylori, revealing that it induces the secretion of membrane vesicles enriched in bismuth and the formation of intracellular polyphosphate granules associated with chromosome compaction. These findings shed light on the response and defense mechanisms of H. pylori against bismuth.
Article
Chemistry, Multidisciplinary
Yiming Hu, Simon J. Teat, Wei Gong, Zhou Zhou, Yinghua Jin, Hongxuan Chen, Jingyi Wu, Yong Cui, Tao Jiang, Xinbin Cheng, Wei Zhang
Summary: Single crystals of a helical covalent polymer have been synthesized from an achiral monomer through spiroborate formation, showing pairs of mechanically entwined polymers in each crystal and producing a racemic conglomerate during the crystallization process. No strong non-covalent interactions were observed between the two helical polymers forming a pair, indicating hydrogen bonding with neighbouring pairs instead.
Article
Pharmacology & Pharmacy
Ningyi Zhu, Chao Zhong, Tianqi Liu, Yuewen Zhu, Sanhu Gou, Hexin Bao, Jia Yao, Jingman Ni
Summary: Newly designed peptides with excellent bioactivity, modest cell toxicity, low resistance tendency, and moderate stability have been developed through amino acid substitution and peptide truncation. These peptides demonstrate synergy or additive effects against Gram-negative bacteria when combined with conventional antibiotics, showing promise as antibiotic alternatives to tackle the risk of drug-resistant Gram-negative bacteria.
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
(2021)
Article
Multidisciplinary Sciences
Martino Bertoni, Miquel Duran-Frigola, Pau Badia-i-Mompel, Eduardo Pauls, Modesto Orozco-Ruiz, Oriol Guitart-Pla, Victor Alcalde, Victor M. Diaz, Antoni Berenguer-Llergo, Isabelle Brun-Heath, Nuria Villegas, Antonio Garcia de Herreros, Patrick Aloy
Summary: Chemical descriptors encode the physicochemical and structural properties of small molecules and are at the core of chemoinformatics. The authors introduce deep neural networks capable of inferring bioactivity signatures for any compound of interest, even with little or no experimental information. Signatures relate to 25 different types of bioactivities and can be used as replacements for chemical descriptors in daily chemoinformatics tasks.
NATURE COMMUNICATIONS
(2021)
Review
Biochemistry & Molecular Biology
Karsoon Tan, Si-Yuan Lu, Kianann Tan, Julian Ransangan, Xiaohui Cai, Kit-Leong Cheong
Summary: This study provides a comprehensive scientific review on the potential bioactivity of polysaccharides derived from bivalves. The polysaccharides derived from bivalves exhibit various bioactive properties such as anticancer, antioxidant, anticoagulant, and immunomodulatory activities. The bioactivity of these biomolecules depends on factors such as bivalve species, extraction methods, purification methods, and dosages. The information presented in this study offers an overview of the bioactivities of bivalve polysaccharides and can serve as a useful guide for identifying the health benefits of polysaccharides derived from different bivalve species.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Immunology
Sara Y. Tartof, Lie Hong Chen, Yun Tian, Rong Wei, Theresa Im, Kalvin Yu, Gunter Rieg, Zoe Bider-Canfield, Frances Wong, Harpreet S. Takhar, Lei Qian
Summary: This retrospective cohort study examined the impact of an antibiotic stewardship program (ASP) on antibiotic usage and infection rates of drug-resistant organisms in a healthcare setting. Results showed a decrease in overall antibiotic use post-ASP implementation, but an increase in vancomycin-resistant enterococci infections. The study suggests that successful reduction in antibiotic consumption through ASPs may not necessarily lead to a decrease in antibiotic-resistant infections.
CLINICAL INFECTIOUS DISEASES
(2021)
Article
Chemistry, Multidisciplinary
Mehdi Paykan Heyrati, Zahra Ghorbanali, Mohammad Akbari, Ghasem Pishgahi, Fatemeh Zare-Mirakabad
Summary: In this study, a BioAct-Het model is proposed to enhance compound bioactivities by modeling the complex relationship between drugs and bioactivity classes. The model utilizes a heterogeneous siamese neural network and introduces a novel representation for bioactivity classes. The evaluation of the model demonstrates its effectiveness in predicting bioactivity classes and its potential in addressing real-world problems in drug development.
Article
Polymer Science
Jihoon Park, Je-Yeon Jung, Hyun-Woo Shin, Jong-Wan Park, Joona Bang, June Huh
Summary: In this study, the conformational behavior of two chain architectures of ABA triblock copolymers was computationally investigated using DPD simulations. The power-law relation between bridge fraction and interaction parameter was found, providing insight into the conversion from bridge to loop conformation. This conformational assessment offers a strategy for designing optimal material and processing conditions for triblock copolymers with linear or comb architecture.
Review
Environmental Sciences
Yi Zhao, Qiu E. Yang, Xue Zhou, Feng-Hua Wang, Johanna Muurinen, Marko P. Virta, Kristian Koefoed Brandt, Yong-Guan Zhu
Summary: The use of antibiotics in animal production has led to the transmission of antibiotic resistance genes between animals and humans, highlighting the urgent need to take measures to mitigate this public health crisis.
CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY
(2021)
Article
Biotechnology & Applied Microbiology
Lekshmi R. G. Kumar, Preethy Treesa Paul, K. K. Anas, C. S. Tejpal, N. S. Chatterjee, T. K. Anupama, Suseela Mathew, C. N. Ravishankar
Summary: Phlorotannins, a class of polyphenolic compounds derived from seaweed, have various bioactivities such as antioxidant, antimicrobial, anti-allergic, anti-diabetic, anti-inflammatory, anti-cancerous, and neuroprotection. Despite the global demand, few commercial nutraceuticals are available, highlighting the importance of consumer awareness. Accurate quantification of phlorotannins with sophisticated analytical techniques is vital for industry-level commercialization.
JOURNAL OF APPLIED PHYCOLOGY
(2022)
Article
Multidisciplinary Sciences
Edwin Andrew Ofudje, James Asamu Akande, Ezekiel Folorunso Sodiya, Gabriel O. Ajayi, Adeniyi John Ademoyegun, Abdullah G. Al-Sehemi, Yasar N. Kavil, Ammar M. Bakheet
Summary: There is a high demand for bioactive and non-toxic biomaterials in tissue engineering applications. Hydroxyapatite (HAp) and HAp/clay nanocomposites have been developed to mimic natural HAp and provide special properties to the biomaterial. The functional groups properties, crystallinity, morphology, and behavior in saline solution and simulated body fluids were analyzed, confirming the potential application of HAp/clay nanocomposites in bone tissue engineering.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Organic
Halima Bagum, Bethany R. Shire, Kirsten E. Christensen, Miroslav Genov, Alexander Pretsch, Dagmar Pretsch, Mark G. Moloney
Article
Nanoscience & Nanotechnology
Ji Dai, Hongchun Luo, Mark Moloney, Jun Qiu
ACS APPLIED MATERIALS & INTERFACES
(2020)
Review
Chemistry, Organic
Sarosh Iqbal, Hina Rasheed, Rabiya Javed Awan, Ramsha Javed Awan, Asma Mukhtar, Mark G. Moloney
CURRENT ORGANIC CHEMISTRY
(2020)
Review
Chemistry, Organic
Muhammad Kamran Khan, Dandan Wang, Mark G. Moloney
SYNTHESIS-STUTTGART
(2020)
Article
Multidisciplinary Sciences
Dagmar Pretsch, Judith Maria Rollinger, Axel Schmid, Miroslav Genov, Teresa Woehrer, Liselotte Krenn, Mark Moloney, Ameya Kasture, Thomas Hummel, Alexander Pretsch
SCIENTIFIC REPORTS
(2020)
Article
Chemistry, Organic
Ruirui Zhang, Xiang Li, Miroslav Genov, Alexander Pretsch, Dagmar Pretsch, Mark G. Moloney
JOURNAL OF ORGANIC CHEMISTRY
(2020)
Article
Chemistry, Organic
Ruirui Zhang, Miroslav Genov, Alexander Pretsch, Dagmar Pretsch, Mark G. Moloney
Summary: Metal chelation in tetramates can be improved by changing the ligating group and by steric blocking, affecting their antibacterial properties. Modification at specific positions in tetramates can lead to either enhanced or diminished antibacterial activity, highlighting the importance of metal-chelating capability in their biological activity.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Mark G. Moloney, Dandan Wang, William F. Hartz, Kirsten E. Christensen
Summary: Glass fiber membranes were successfully modified using bis(diaryldiazomethane) derivatives, providing an alternative route for surface modification of glass materials. The successive functionalization of the membranes resulted in significant changes in surface wetting. The study identified carbene-mediated polymerization as a novel mechanism for surface modification, which does not require catalysis by transition metals and allows for encapsulation of the glass fibers.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Organic
Liban Saney, Kirsten E. Christensen, Xiang Li, Miroslav Genov, Alexander Pretsch, Dagmar Pretsch, Mark G. Moloney
Summary: A general route for the synthesis of substituted bicyclic tetramates was reported, which involved the Dieckmann cyclization of oxazolidines derived from threo-arylserines. The threo-arylserines were obtained through an efficient aldol-like reaction of glycine with substituted benzaldehydes under alkaline conditions. The tetramates released chelated metal cations during chromatographic purification. Some compounds in the library exhibited good antibacterial activity against Gram-positive bacteria. Cheminformatic analysis revealed that the most active compounds were RoS-compliant and occupied a distinct region of chemical space.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Pengfei Yang, Yunlin Pan, Qinning Wan, Shujie Chen, Mark G. Moloney, Junying Li, Liling Jing, Jinku Xu, Zhiliang Zhang, Jinlong Mao
Summary: This study successfully introduced methylthio groups into cotton materials using a carbene modification method, and formed composite materials with silver nanoparticles. Experiments on various substrates demonstrated the wide applicability of this method, and the resulting materials exhibited excellent antibacterial activity.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Infectious Diseases
Lewis T. Ibbotson, Kirsten E. Christensen, Miroslav Genov, Alexander Pretsch, Dagmar Pretsch, Mark G. Moloney
Summary: We have developed a novel method for cyclizing phthalimides to form variously substituted fused lactam systems. The regioselectivity of this process is determined by steric and electronic factors, showing high selectivity for o-substituted phthalimides but not for m-substituted phthalimides. The resulting lactam systems possess significant cross conjugation and steric effects, influencing the reactivity of functional groups, and can be further modified for various applications.
Article
Chemistry, Organic
Liban Saney, Tharindi Panduwawala, Xiang Li, Kirsten E. Christensen, Miroslav Genov, Alexander Pretsch, Dagmar Pretsch, Mark G. Moloney
Summary: A chemoselective route for synthesizing bicyclic tetramates via Dieckmann cyclization is presented, utilizing functionalized oxazolidines and imidazolidines derived from an aminomalonate. The observed chemoselectivity is determined to be kinetically controlled, resulting in the thermodynamically most stable product. Some compounds in the library exhibit moderate antibacterial activity against Gram-positive bacteria, with the highest activity observed in a well-defined region of chemical space (554 < M-w < 722 g mol(-1); 5.78 < cLogP < 7.16; 788 < MSA < 972 Å(2); 10.3 < rel. PSA < 19.08).
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Organic
Liban Saney, Kirsten E. Christensen, Miroslav Genov, Alexander Pretsch, Dagmar Pretsch, Mark G. Moloney
Summary: A general route to substituted bicyclic tetramates was reported, using Dieckmann cyclization of oxazolidine derivatives derived from allo-phenylserines. The N-acylation reaction of oxazolidines showed high diastereoselectivity, and the chemoselectivity of their ring closure in the Dieckmann cyclization was complete. The derived C7-carboxamidotetramates exhibited potent antibacterial activity against MRSA, indicating that densely functionalized tetramates are readily available and may have high levels of antibacterial activity.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Materials Science, Biomaterials
Dandan Wang, William F. F. Hartz, Mark G. G. Moloney
Summary: The insertion of bis(diarylcarbene)s onto a glass fiber membrane surface enables the direct capture of protein, specifically cellulase, through a mild diazonium coupling process. This method eliminates the need for additional coupling agents. The successful attachment and retention of cellulase on the modified GF membrane demonstrates the effectiveness of this surface modification strategy for enzyme immobilization.
JOURNAL OF MATERIALS CHEMISTRY B
(2023)
Article
Chemistry, Multidisciplinary
Ruirui Zhang, Miroslav Genov, Alexander Pretsch, Dagmar Pretsch, Mark G. Moloney
Summary: The study reports the alteration of metal binding ability and enhanced antibacterial potency against Gram-positive MRSA bacteria by introducing bulky ester modifications to bicyclic tetramates. The tetramates with antibacterial activity showed good selectivity towards prokaryotic bacterial cells and generally complied with Lipinski rules in terms of physiochemical properties.
Article
Chemistry, Medicinal
Shibin Zhao, Julian Maceren, Mia Chung, Samantha Stone, Raphael Geiben, Melissa L. Boby, Bradley S. Sherborne, Derek S. Tan
Summary: Antibiotic resistance is a major threat to public health, with Gram-negative bacteria presenting unique challenges due to their low permeability and efflux pumps. Limited understanding of the chemical rules for overcoming these barriers hinders antibacterial drug discovery. Efforts to address this issue, such as screening compound libraries and using cheminformatic analysis, have led to the design of sulfamidoadenosines with diverse substituents, showing potential utility in accumulation in Escherichia coli.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Jichun Li, Qing Li, Shuai Xia, Jiahuang Tu, Longbo Zheng, Qian Wang, Shibo Jiang, Chao Wang
Summary: This study successfully developed a short peptide mimetic as a MERS-CoV fusion inhibitor by reproducing the key recognition features of the HR2 helix. The resulting 23-mer lipopeptide showed comparable inhibitory effect to the 36-mer HR2 peptide HR2P-M2. This has important implications for developing short peptide-based antiviral agents to treat MERS-CoV infection.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Krista Jaunsleine, Linda Supe, Jana Spura, Sten van Beek, Anna Sandstrom, Jessica Olsen, Carina Halleskog, Tore Bengtsson, Ilga Mutule, Benjamin Pelcman
Summary: Beta(2)-adrenergic receptor agonists can stimulate glucose uptake by skeletal muscle cells and are therefore potential treatments for type 2 diabetes. The chirality of compounds has a significant impact on the activity of these agonists. This study found that certain synthesized compounds showed higher glucose uptake activity. These findings provide important information for the design of novel beta(2)AR agonists for T2D treatment.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Xin Xu, Jia Chen, Guan Wang, Xiaojuan Zhang, Qiang Li, Xiaobo Zhou, Fengying Guo, Min Li
Summary: The study focuses on EZH2, a promising therapeutic target for various types of cancers. Researchers designed and synthesized a series of novel derivatives aiming to enhance the EZH2 inhibition activity. Among them, compound 28 displayed potent EZH2 inhibition activity and showed high anti-proliferative effects in lymphoma cell lines and xenograft mouse models. The study suggests that compound 28 has potential as a therapeutic candidate for EZH2-associated cancers.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Wei Zhang, Wei Liu, Ya-Dong Zhao, Li-Zi Xing, Ji Xu, Rui-Jun Li, Yun-Xiao Zhang
Summary: This study developed a series of aromatic amide derivatives based on Rhein and investigated their inhibitory activity against alpha-Syn aggregation. Two of these compounds showed promising potential in treating Parkinson's disease by stabilizing alpha-Syn's conformation and disassembling alpha-Syn oligomers and fibrils.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Mani Sharma, S. S. S. S. Sudha Ambadipudi, Neeraj Kumar Chouhan, V. Lakshma Nayak, Srihari Pabbaraja, Sai Balaji Andugulapati, Ramakrishna Sistla
Summary: Therapeutically active lipids in drug delivery systems can enhance the safety and efficacy of treatment. The liposome formulation created using synthesized biologically active lipids showed additive anti-cancer effects and reduced tumorigenic potential.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
