Article
Biochemistry & Molecular Biology
Jose Guedes da Silva Junior, Hallysson Douglas Andrade de Araujo, Ismael Gomes da Rocha, Jacinto Costa da Silva Neto, Ronaldo Nascimento Oliveira, Shalom Porto de Oliveira Assis, Vera Lucia de Menezes Lima
Summary: The study evaluated the antihyperlipidemic ability of three phthalimide derivatives in a mouse model of obesity and insulin resistance. The results showed that these compounds were able to reduce total cholesterol, LDL-c, VLDL-c, triglycerides, and fasting glycemia, and had the potential to lower the risk of atherosclerosis.
CHEMISTRY & BIODIVERSITY
(2022)
Article
Chemistry, Medicinal
Dehui Zhang, Ann M. Decker, Kristen Woodhouse, Rodney Snyder, Purvi Patel, Danni L. Harris, Yuan -Xiang Tao, Jun-Xu Li, Yanan Zhang
Summary: The blockade of LPA5 by isoquinolone derivatives showed promising potential as analgesics, with good in vitro potency, selectivity, metabolic stability, and brain permeability, indicating that these compounds could effectively attenuate nociceptive hypersensitivity.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Medicinal
Anver Basha Shaik, Comfort A. Boateng, Francisco O. Battiti, Alessandro Bonifazi, Jianjing Cao, Li Chen, Rezvan Chitsazi, Saiprasad Ravi, Kuo Hao Lee, Lei Shi, Amy Hauck Newman
Summary: The crystal structure of dopamine D-3 receptor in complex with eticlopride led to the design of bitopic ligands exploring various alterations to the pyrrolidine ring, which were found to impact binding affinities with dopamine D2R/D3R. The study showed that small pyrrolidine N-alkyl groups were poorly tolerated, and O-alkylated analogues exhibited higher affinities compared to N-alkylated ones. Molecular models suggested that modifications at the 4-position could be well-tolerated for future D2R/D3R bioconjugate tools.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Review
Chemistry, Medicinal
Gangliang Huang, Shiyu Huang
Summary: Glucan has gained attention in life science research for its various advantages, but there are still two main issues in pharmacodynamics, including a lack of information on its mechanism of action and slow progress in the study of structure-activity relationships.
PHYTOTHERAPY RESEARCH
(2021)
Article
Biology
Wayne Mitchell, Jeffrey D. Tamucci, Emery L. Ng, Shaoyi Liu, Alexander Birk, Hazel H. Szeto, Eric R. May, Andrei T. Alexandrescu, Nathan N. Alder
Summary: Mitochondria play a key role in metabolic homeostasis and their dysfunction is associated with various diseases. This study analyzed the structure-activity relationship of tetrapeptide analogs with different aromatic side chain compositions and sequence registrations. The results showed that these analogs adopt compact reverse turn conformations when bound to membranes and exhibit differences in membrane interactions. The analogs had effects on membrane surface charge and were able to penetrate cells and target mitochondria without strict requirements for side chain composition or sequence register. The analog with tryptophan side chains showed the strongest impact on membrane properties and had the highest efficacy in cell culture studies.
Article
Immunology
Eduarda Fratoni, Lais Cristina Theindl, Julia Salvan da Rosa, Marcus Vinicius Pereira dos Santos Nascimento, Tatiana da Rosa Guimaraes Maciel, Fatima De Campos-Buzzi, Eduardo Monguilhott Dalmarco
Summary: This study evaluated the anti-inflammatory effect of six synthetic compounds of N-antipyrine-3,4-dichloromaleimide. Two of the compounds showed promising anti-inflammatory characteristics by inhibiting the production of pro-inflammatory factors and increasing the production of immunomodulatory factors.
IMMUNOPHARMACOLOGY AND IMMUNOTOXICOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Ki Hwan Kim
Summary: This study investigates the effects of allosteric interactions on the classical structure-activity relationship (SAR) and quantitative SAR (QSAR). The presence of outliers in SAR and QSAR studies can provide valuable insights in drug discovery research. The study demonstrates the use of QSAR to identify outliers bound at distinctive allosteric binding sites. Additionally, the study highlights the potential relationship between inverted parabola/bilinear QSARs and conformational changes in allosteric interactions.
MOLECULAR DIVERSITY
(2022)
Article
Chemistry, Physical
Alex J. Plajer, Charlotte K. Williams
Summary: Heteronuclear complexes exhibit high catalytic activity in ring opening copolymerizations. By studying a series of trinuclear complexes, it was found that certain catalysts show high activity for specific reactions, such as CHO/CO2 ROCOP and CHO/ PA copolymerization, allowing for controlled polyether block formation. These findings can guide future catalyst design and inspire other CO2 utilization processes.
Article
Chemistry, Inorganic & Nuclear
Weixin Du, Yufeng Liu, Junjun Sun, Haiying Wang, Guoping Yang, Dongdi Zhang
Summary: Functionalization with belt lanthanide groups enables the crystallization and structural characterization of homo-metallic selenotantalates. These structures serve as effective precursors for the synthesis of new polyoxometalates with desirable properties like photoluminescence and catalytic activities.
DALTON TRANSACTIONS
(2022)
Review
Environmental Sciences
Joonrae Roger Kim, Jean-Rene Thelusmond, Vurtice C. Albright III, Yunzhou Chai
Summary: Research on the environmental biodegradation or microbial biodegradation of polymers has increased due to the demand for biodegradable polymers. The intrinsic biodegradability of a polymer depends on its chemical structure and physical properties. Empirical structure-activity relationships (SARs) for biodegradability of polymers in laboratory studies have been summarized. Polyolefins with carbon-carbon chains are not biodegradable, while polymers with labile bonds may favor biodegradation. Factors such as molecular weight, crosslinking, water solubility, degree of substitution, and crystallinity influence the biodegradability of polymers. Challenges in developing quantitative structure-activity relationships (QSARs) for polymer biodegradability and the need for better characterization and consistent testing conditions are highlighted.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Chemistry, Medicinal
Shenyou Nie, Yuan Yao, Fangrui Wu, Xiaowei Wu, Jidong Zhao, Yuanda Hua, Jingyu Wu, Tong Huo, Yi-Lun Lin, Alexander R. Kneubehl, Megan B. Vogt, Josephine Ferreon, Rebecca Rico-Hesse, Yongcheng Song
Summary: A novel series of compounds are found to be potent allosteric inhibitors of Zika virus protease, with inhibitory activities against homologous proteases of dengue and West Nile viruses as well. The most potent compounds showed strong inhibition of Zika virus replication in cells and in a mouse model, representing potential leads for drug development against Flavivirus infections.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Food Science & Technology
Ruoxin Chen, Jingxiang Xu, Weihao Wu, Yuxi Wen, Suyue Lu, Hesham R. El-Seedi, Chao Zhao
Summary: This review explores the structure-activity relationship of polysaccharides, highlighting the contributions of molecular weight, monosaccharide composition, functional groups, types of glycoside bonds, conformation, and branching degrees to immunostimulatory activity. However, the limited purity and heterogeneity of polysaccharides pose challenges to studying their structure-activity relationships.
CURRENT RESEARCH IN FOOD SCIENCE
(2022)
Article
Acoustics
Haoyu Wang, Michael Z. Q. Chen
Summary: This study investigates a classical vibration control system consisting of a main device, an auxiliary device, and a mechanical network, and obtains two major results. The first major result analyzes the influence of adjusting the vibration of the main device on the vibration of the mechanical network. The second major result establishes the upper and lower bounds of the amplitude-frequency curve of the mechanical network. For theoretical research, the first conclusion can be used to predict the variation trend of the vibration of the mechanical network when the vibration of the main device is further suppressed. For engineering applications, the second conclusion can be used to evaluate whether the vibration suppression performance indicators can be achieved.
JOURNAL OF SOUND AND VIBRATION
(2023)
Article
Materials Science, Multidisciplinary
Zhaohui Chong, Qiangling Yao, Xuehua Li, Lun Yan, Fengsheng Su
Summary: In this paper, cyclic freeze-thaw by liquid nitrogen was used to improve the fragmentation degree of coal seams, and the coal pore structure evolutions and coal breakage properties were studied. The results showed that the number of freeze-thaw cycles, LN2 freezing time, and moisture content of the coal sample had an impact on the mechanical and physical characteristics and pore structures of coal samples treated with CFT-LN2.
INTERNATIONAL JOURNAL OF DAMAGE MECHANICS
(2022)
Article
Polymer Science
Alexey I. I. Volkov, Rostislav V. V. Apraksin
Summary: In this study, the effects of different salt additives on the electrochemical properties, morphology, and structure of PEDOT:PSS films were systematically investigated. The results showed a close relationship between the electrochemical properties of the films and the nature of the additives, which could be correlated with the Hofmeister series. This research provides insights into the modification processes within PEDOT:PSS films and the potential for fine-tuning their properties by selecting appropriate salt additives.
