Article
Chemistry, Multidisciplinary
Colleen P. Chernowsky, Alyah F. Chmiel, Zachary K. Wickens
Summary: Electrochemical stimulation can induce new photocatalytic activity in a range of structurally diverse conventional photocatalysts, promoting the reductive cleavage of strong C(sp(2))-N and C(sp(2))-O bonds. This method, known for its deep reducing ability, safety, and mild conditions, has shown synthetic utility. The improved activity of this new system is attributed to an enhanced catalyst stability, as revealed by electrochemical current measurements.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Ru-Bing Wang, Shuang-Gang Ma, Cooper S. Jamieson, Rong-Mei Gao, Yun-Bao Liu, Yong Li, Xiao-Jing Wang, Yu-Huan Li, Kendall N. Houk, Jing Qu, Shi-Shan Yu
Summary: The study presents a 17-step total synthesis method to prepare a library of stereochemically diverse isomers of spirooliganin. The research shows that it exhibits potent inhibition of Coxsackievirus B3 and reveals the pharmacophore effect of the D-ring on its antiviral activities.
Article
Chemistry, Applied
Shulei Pan, Marco T. Passia, Xianliang Wang, Peng Wu, Ding Ma, Carsten Bolm
Summary: NH-sulfoximines can react with carbenes generated from diazo compounds under blue light irradiation to undergo rapid Wolff rearrangement and form N-acylated products in good yields. The reaction conditions are mild, and no base, oxidant, or metal catalyst is required.
ADVANCED SYNTHESIS & CATALYSIS
(2023)
Article
Immunology
Thabatta L. S. A. Rosa, Maria Angela M. Marques, Zachary DeBoard, Kelly Hutchins, Carlos Adriano A. Silva, Christine R. Montague, Tianao Yuan, Julio J. Amaral, Georgia C. Atella, Patricia S. Rosa, Katherine A. Mattos, Brian C. VanderVen, Ramanuj Lahiri, Nicole S. Sampson, Patrick J. Brennan, John T. Belisle, Maria Cristina Pessolani, Marcia Berredo-Pinho
Summary: Upon infection, Mycobacterium leprae induces accumulation of cholesterol in Schwann cells, which is potentially delivered to the intracellular bacterium. Cholesterol oxidation is an essential catabolic pathway for M. leprae pathogenicity, with 3 beta-HSD as a potential drug target for leprosy treatment.
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Zhihong Liu, Jiewen Du, Ziying Lin, Bingdong Liu, Zongbin Cui, Jiansong Fang, Liwei Xie
Summary: This paper presents DenovoProfiling, a webserver dedicated to visualization and functional profiling of de novo libraries. It provides various modules for chemical structure visualization, chemical space exploration, ADMET prediction, molecular alignment, drugs mapping, and target & pathway identification.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL
(2022)
Review
Chemistry, Medicinal
Islam A. A. Ali, Prasanna Neelakantan
Summary: This review discusses the antimicrobial tolerance attributes of Enterococcus faecalis biofilms, explores the potential of using phytochemicals to combat microbial pathogens, and reports the antibiofilm activity and mechanisms of action of these compounds against E. faecalis.
PHYTOTHERAPY RESEARCH
(2022)
Article
Chemistry, Medicinal
Ruwei Yao, Anders A. A. Jensen, Hogan P. P. Bryce-Rogers, Katrine Schultz-Knudsen, Libin Zhou, Nicklas P. P. Hovendal, Henrik Pedersen, Mariusz Kubus, Trond Ulven, Luca Laraia
Summary: The recombination of natural product fragments is an important strategy for discovering bioactive compounds. We synthesized a compound library enriched in spirocyclic ring fusions using alkaloid-inspired scaffolds. The library exhibited excellent drug-like properties and targeted screening led to the identification of hits with significant agonist or antagonist activity against specific serotonin and dopamine receptors. Optimization of one of these hits resulted in a promising lead compound with high selectivity as a dual 5-HT2B/C antagonist.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Jiasheng Wu, Kexin Zhang, Hyeonsuk Yoo, Yongjin Lee
Summary: A comprehensive computational study was conducted in this article to prepare a set of zeolite templates based on topological diversity, which proved to be effective in generating stable ZTC structures and accelerating the development of novel carbon materials by narrowing down the vast database of zeolites.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Multidisciplinary Sciences
Steve Kench, Isaac Squires, Amir Dahari, Samuel J. Cooper
Summary: This paper presents SliceGAN, a machine learning method that can generate 3D microstructural datasets of arbitrary size using a single 2D input slice as training data. By applying SliceGAN to 87 different microstructures, the results demonstrate good agreement between the synthetic volumes and the real data. This new microstructure library provides valuable 3D microstructures for models and showcases the broad applicability of the SliceGAN algorithm.
Article
Multidisciplinary Sciences
Haoze Yu, Litao Tao, Juan Llamas, Xizi Wang, John D. Nguyen, Talon Trecek, Neil Segil
Summary: This study reveals a feed-forward mechanism in which the transcriptional master regulator ATOH1 stimulates the expression of POU4F3, allowing access to closed ATOH1 enhancers and promoting the differentiation of hair cells and Merkel cells. Shared and divergent ATOH1/POU4F3-dependent enhancer networks are found in these two cell types, indicating a deep developmental lineage relationship between them.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Engineering, Environmental
Lisa Truong, Yvonne Rericha, Preethi Thunga, Skylar Marvel, Dylan Wallis, Michael T. Simonich, Jennifer A. Field, Dunping Cao, David M. Reif, Robyn L. Tanguay
Summary: This study conducted an extensive in vivo developmental toxicity screen on 139 PFAS, and found that 49 of them exhibited bioactivity in at least one assay. Perfluorooctanesulfonamide (FOSA) was the only structure that showed bioactivity in all assays. The study also revealed a correlation between low volatility of PFAS and developmental toxicity, while no association was found between bioactivity and other physicochemical parameters.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Esmeralda Ivonne Nino-Padilla, Clara Espitia, Carlos Velazquez, Efrain Alday, Erika Silva-Campa, Alexel Burgara-Estrella, Jose Antonio Enciso-Moreno, Olivia Valenzuela, Humberto Astiazaran-Garcia, Adriana Garibay-Escobar
Summary: This study evaluated the potential antibiofilm activity of Rhynchosia precatoria compounds against Mycobacterium bovis BCG. The compound precatorin A (PreA) showed the strongest biofilm inhibitory activity, preventing the formation of biofilms by BCG. However, neither PreA nor the extract showed bactericidal effects.
Article
Pharmacology & Pharmacy
Vera Ivanovic, Danica Popovic, Sanja Petrovic, Rebeka Rudolf, Peter Majeric, Milos Lazarevic, Igor Djordjevic, Vojkan Lazic, Milena Radunovic
Summary: This study prepared a PMMA enriched with gold nanoparticles (AuNPs) and examined its physical, mechanical, and antimicrobial properties. The results showed that the density and microhardness of PMMA/AuNPs were similar to PMMA, but it exhibited better inhibitory effects on biofilm formation.
Article
Chemistry, Multidisciplinary
Donggeon Nam, Viktoria Steck, Robert J. Potenzino, Rudi Fasan
Summary: This study presents a chemoenzymatic strategy for the stereoselective assembly and diversification of cyclopropyl ketones, a versatile class of functionalized cyclopropanes. By utilizing an engineered variant of sperm whale myoglobin, highly diastereo- and enantioselective construction of these molecules is achieved via olefin cyclopropanation in the presence of a diazoketone carbene donor reagent. The resulting enzymatic products can be further transformed to yield a collection of structurally diverse cyclopropane-containing scaffolds in optically pure form, demonstrating the potential of chemoenzymatic synthesis for medicinal chemistry and drug discovery.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Medicinal
Hiroyuki Miyachi, Kayoko Kanamitsu, Mayumi Ishii, Eri Watanabe, Akira Katsuyama, Satoko Otsuguro, Fumika Yakushiji, Mizuki Watanabe, Kouhei Matsui, Yukina Sato, Satoshi Shuto, Takashi Tadokoro, Shunsuke Kita, Takanori Matsumaru, Akira Matsuda, Tomoyasu Hirose, Masato Iwatsuki, Yasuteru Shigeta, Tetsuo Nagano, Hirotatsu Kojima, Satoshi Ichikawa, Toshiaki Sunazuka, Katsumi Maenaka
Summary: A methodology was developed to predict the passive diffusion characteristics of middle molecules based on their structural features, using a diverse library consisting of different types of molecules. The solubility and passive diffusion velocity of these molecules were assessed, leading to the proposal of a new method for predicting their druggability.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2021)
Article
Immunology
Jennifer A. Foltz, Srinivas S. Somanchi, Yanwen Yang, Arianexys Aquino-Lopez, Erin E. Bishop, Dean A. Lee
FRONTIERS IN IMMUNOLOGY
(2016)
Article
Immunology
Arianexys Aquino-Lopez, Vladimir V. Senyukov, Zlatko Vlasic, Eugenie S. Kleinerman, Dean A. Lee
FRONTIERS IN IMMUNOLOGY
(2017)
Article
Multidisciplinary Sciences
Deepavali Chakravarti, Xiaohua Su, Min Soon Cho, Ngoc Hoang Bao Bui, Cristian Coarfa, Avinashnarayan Venkatanarayan, Ashley L. Benham, Ramon E. Flores Gonzalez, Jennifer Alana, Weimin Xiao, Marco L. Leung, Harina Vin, Io Long Chan, Arianexys Aquino, Nicole Mueller, Hongran Wang, Austin J. Cooney, Jan Parker-Thornburg, Kenneth Y. Tsai, Preethi H. Gunaratne, Elsa R. Flores
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2014)
Article
Oncology
Anish K. Ray, Srinivas S. Sonnanchi, Neda Dastgheyb, Arianexys Aquino Lopez, Zehra E. Cobanoglu, Brian Geier, Dean A. Lee
PEDIATRIC BLOOD & CANCER
(2019)
Letter
Oncology
Arianexys Aquino-Lopez, Lisa L. Wang, Ricardo J. Flores
PEDIATRIC BLOOD & CANCER
(2021)
Review
Hematology
Geoffrey S. Kannan, Arianexys Aquino-Lopez, Dean A. Lee
