Article
Biochemistry & Molecular Biology
Ya-Sheng Li, Shen Mao, Dong-Sheng Zhao, Can-Can Wang, Dan Zu, Xi Yang, Gui-Jun Liu, Si-Jia Wang, Bo Zhang, Xiao-Ze Bao, Xin-Yi Ye, Bin Wei, Zi-Ning Cui, Jian-Wei Chen, Hong Wang
Summary: Based on the lead compound 5m, novel chemosensitizers such as derivative 60 were designed to overcome P-gp mediated multidrug resistance; Compound 60 effectively inhibited P-gp efflux function and showed potential broad-spectrum chemosensitization when combined with commonly used anti-tumor drugs.
BIOORGANIC CHEMISTRY
(2021)
Article
Microbiology
M. I. Islam, J. H. Bae, T. Ishida, P. Ridone, J. Lin, M. J. Kelso, Y. Sowa, B. J. Buckley, M. A. B. Baker
Summary: Two novel amiloride derivatives, HM2-16F and BB2-50F, were discovered in this study to inhibit bacterial flagellar motors across various strains, including pathogenic and nonpathogenic ones. These broad-spectrum antimotility compounds are important tools in controlling virulence of pathogens in health and agricultural settings.
JOURNAL OF BACTERIOLOGY
(2021)
Article
Multidisciplinary Sciences
Gerhard Koenig, Pandian Sokkar, Niclas Pryk, Sascha Heinrich, David Moeller, Giuseppe Cimicata, Donna Matzov, Pascal Dietze, Walter Thiel, Anat Bashan, Julia Elisabeth Bandow, Johannes Zuegg, Ada Yonath, Frank Schulz, Elsa Sanchez-Garcia
Summary: Antibiotic resistance poses a major threat to global health, but computational methods can aid in the development of new antibacterial agents and provide rapid decision-making. The best-designed compounds exhibit excellent activity in both in vitro and in vivo experiments, showing promising inhibitory effects against priority pathogens identified by the World Health Organization.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Infectious Diseases
Eliza Depoorter, Evelien De Canck, Tom Coenye, Peter Vandamme
Summary: This study explores the antimicrobial potential of Burkholderia species and identifies potentially novel molecules through dereplication strategies. The results confirm that Burkholderia bacteria offer exciting opportunities for the discovery of new bioactive molecules.
Article
Chemistry, Organic
Arun K. Ghosh, Srinivasa Rao Allu, Guddeti Chandrashekar Reddy, Adriana Gamboa Lopez, Patricia Mendez, Melissa S. Jurica
Summary: Herboxidiene is a potent antitumor agent that targets the SF3B subunit of the spliceosome, possessing a complex structural architecture with nine stereocenters. Structural variants of Herboxidiene were synthesized to eliminate stereocenters and investigate their effects on splicing chemistry, with some derivatives showing very potent splicing inhibitory activity.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Ramalakshmi Natarajan, Amuthalakshmi Sivaperuman, Abiseik Samuel, Dinesh Hansaram Patel, Nikhil Jain, Manigandan Veerappan, Nikhil Kushal Kumar
Summary: In this study, 15 novel thiophene derivatives were designed using 2D QSAR and in silico approach, which exhibited excellent antibacterial activity and suitable oral bioavailability for treating E. coli resistance.
CHEMISTRY & BIODIVERSITY
(2023)
Article
Biochemistry & Molecular Biology
Thomas J. Polaske, Curran G. Gahan, Kayleigh E. Nyffeler, David M. Lynn, Helen E. Blackwell
Summary: This study developed a simple assay for monitoring biosurfactants and lytic agents produced by bacteria, and identified potential molecules that can block bacterial quorum sensing. The assay has the advantage of high-throughput screening and can be used to discover new drugs for treating infections.
CELL CHEMICAL BIOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Shimaa Kamal, Hamed Ahmed Derbala, Seham Soliman Alterary, Abir Ben Bacha, Mona Alonazi, Mohamed Kandeel El-Ashrey, Nahed Nasser Eid El-Sayed
Summary: In this study, new compounds were synthesized and evaluated for their pharmacological activities on colorectal cancer cells, showing promising antioxidant, cytotoxic, and PDK1 and LDHA inhibitory effects. Compound 1b exhibited the strongest inhibitory activity among all tested compounds.
Article
Chemistry, Medicinal
Hanfei Wang, Robert Gaston, Kh Tanvir Ahmed, Gregory B. Dudley, Amy M. Barrios
Summary: PHPT1 is a protein histidine phosphatase that is involved in various disease pathways, but there is a lack of chemical tools for studying its biological roles and exploring its potential as a therapeutic target. In this study, the inhibition of PHPT1 activity by illudalic acid and its analogs was investigated. Among the seven analogs studied, four had IC50 values below 5 μM, and the most potent compound (IA1-8H2) exhibited an IC50 value of 3.4 +/- 0.7 μM. Interestingly, these compounds were found to be non-covalent and non-competitive inhibitors of PHPT1 activity, unlike other reported inhibitors. Mutating three cysteine residues to alanine did not affect the inhibition, suggesting that cysteine is not crucial for the interaction between the inhibitor and the enzyme.
Article
Chemistry, Multidisciplinary
Yumi Koga, Eileen M. Hoang, Yongho Park, Alexander F. A. Keszei, Jason Murray, Sichen Shao, Brian B. Liau
Summary: Cycloheximide (CHX) has been used for over half a century to study protein synthesis, but its rapid reversibility often leads to incomplete translation inhibition, prompting the need for improved reagents. The concise synthesis of C13-amide-functionalized CHX derivatives with increased potencies towards protein synthesis inhibition has been reported. These new compounds, particularly C13-aminobenzoyl CHX, have shown superior performance in ribosome profiling experiments, allowing for more effective capture of ribosome conformations.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Review
Materials Science, Multidisciplinary
Shun Duan, Ruonan Wu, Yan-Hua Xiong, Hui-Min Ren, Chengyue Lei, Yu-Qing Zhao, Xin-Yang Zhang, Fu-Jian Xu
Summary: The development of antimicrobial materials has evolved from ancient silver containers to modern synthesized chemicals, constantly improving and enhancing efficacy. With advances in materials science and engineering, multifunctional antimicrobial materials now have the ability to effectively combat infections and enhance the efficacy of medical devices.
PROGRESS IN MATERIALS SCIENCE
(2022)
Review
Chemistry, Medicinal
Tiandi Ding, Ying Zhi, Weilin Xie, Qingqiang Yao, Bo Liu
Summary: Sphingosine kinases are lipid kinases that phosphorylate sphingosine to sphingosine-1-phosphate, playing a role in regulating biological processes; targeting their signaling pathway is a potential treatment strategy for various pathophysiological conditions.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Xiaohui Zhu, Wen Han, Yongfei Liu, Haihui Wang, Danying Lin, Zhangcheng Fu, Yu He, Xiaofei Yin, Chunhua Lu, Huanghao Yang
Summary: A therapeutic system was developed to co-deliver photothermal therapy agents and inflammatory inhibitors for synergistic treatment of cancer, effectively achieving integration of tumor treatment and recovery. The system showed excellent photoacoustic imaging properties and the potential for cancer diagnostic-treatment-recovery integration.
Article
Chemistry, Multidisciplinary
Karel Dieguez-Santana, Bakhtiyor Rasulev, Humberto Gonzalez-Diaz
Summary: This paper introduces an application of information fusion perturbation-theory machine learning method in antibacterial drug-nanoparticle systems. The method accelerates the testing of bacterial sensitivity to different strains and shows good predictive performance. Additionally, the concept of MDR computational surveillance for detecting multidrug-resistant strains is introduced.
ENVIRONMENTAL SCIENCE-NANO
(2022)
Article
Biochemistry & Molecular Biology
Tiago Bozzola, Mariafrancesca Scalise, Christer U. Larsson, Michael C. Newton-Vesty, Caterina Rovegno, Ankita Mitra, Jonathan Cramer, Weixiao Yuan Wahlgren, Partha Radhakrishnan Santhakumari, Richard E. Johnsson, Oliver Schwardt, Beat Ernst, Rosmarie Friemann, Renwick C. J. Dobson, Cesare Indiveri, Jenny Schelin, Ulf J. Nilsson, Ulf Ellervik
Summary: This study presents the development of novel drugs that can inhibit the bacterial sialic acid symporter SiaT. Through the use of structure-based drug design and synthesis, the researchers were able to create compounds with significantly higher affinity compared to natural substrates. These compounds effectively delayed bacterial growth in methicillin-resistant Staphylococcus aureus, suggesting their potential as new antibacterial agents.
ACS CHEMICAL BIOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Valentin Duvauchelle, David Benimelis, Patrick Meffre, Zohra Benfodda
Summary: A new approach for achieving trifluoromethyl hydroxyalkylation of 5-phenylthiophen-2-amine using alpha-trifluoromethyl ketones is described. The study demonstrates the site-selective electrophilic aromatic substitution on the C-3 atom of an unprotected 5-phenylthiophen-2-amine moiety. The reaction proceeds smoothly without the use of metal or catalyst, resulting in good to excellent yields.
Article
Chemistry, Medicinal
Valentin Duvauchelle, Patrick Meffre, Zohra Benfodda
Summary: 2-Aminothiophene is an attractive core structure that exhibits broad biological activities and serves as a precursor for the synthesis of active thiophene-containing compounds. Compounds derived from 2-aminothiophene are promising in medicinal chemistry as selective inhibitors and modulators, showing effective pharmacological properties in clinical studies of specific diseases.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Cell Biology
Cyril Bourouh, Emilie Courty, Laure Rolland, Gianni Pasquetti, Xavier Gromada, Nabil Rabhi, Charlene Carney, Maeva Moreno, Raphael Boutry, Emilie Caron, Zohra Benfodda, Patrick Meffre, Julie Kerr-Conte, Francois Pattou, Philippe Froguel, Amelie Bonnefond, Frederik Oger, Jean-Sebastien Annicotte
Summary: The study reveals the critical role of E2f1 in regulating beta cell function and suggests molecular crosstalk between the E2F1/pRb and GLP1R signaling pathways.
Article
Biochemistry & Molecular Biology
Alexandre Gonzalez, Zohra Benfodda, David Benimelis, Jean-Xavier Fontaine, Roland Molinie, Patrick Meffre
Summary: This study investigated the chemical diversity of volatile organic compounds (VOCs) released by 14 Tillandsia species using headspace solid phase microextraction coupled with gas chromatography-mass spectrometry. A total of 65 VOCs were identified, with 6 to 25 compounds found in each species. Ten species and hybrids shared a similar aromatic profile with 8 predominant compounds, while two faint-scented species exhibited a unique profile rich in monoterpenes or phenylpropanoids/benzenoids.
Article
Chemistry, Multidisciplinary
Miyanou Rosales-Hurtado, Valentin Duvauchelle, David Benimelis, Maya Ogawa-Okada, Naofumi Yamamoto, Patrick Meffre, Hendrik Szurmant, Zohra Benfodda
Summary: This study successfully synthesized a variety of antibacterial derivatives using microwave-assisted synthesis and found that two compounds exhibited good activity against pathogenic bacteria while being non-toxic and biodegradable to environmental bacteria.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Valentin Duvauchelle, Patrick Meffre, Zohra Benfodda
Summary: Due to pollution and the rising energy demand, the design of new synthetic reactions that meet the principles of green chemistry has become increasingly important. This review focuses on new synthetic routes to 2-aminothiophenes, including multicomponent reactions, homogeneously- or heterogeneously-catalyzed reactions, with an emphasis on green pathways.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Mame-Marietou Lo, Zohra Benfodda, Catherine Dunyach-Remy, David Benimelis, Romain Roulard, Jean-Xavier Fontaine, David Mathiron, Anthony Quero, Roland Molinie, Patrick Mefire
Summary: This study conducted the first phytochemical investigation on the hardy species Tillandsia bergeri and identified two flavones, penduletin and viscosine, that are responsible for its antibacterial activity. These compounds showed potential as antibiotics and adjuvants.