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Characterization of novel cold-active chitin deacetylase for green production of bioactive chitosan.
AMB Express
January 2025
Botany and Microbiology Department, Faculty of Science, Cairo University, Giza, 12613, Egypt.
A Novel cold-active chitin deacetylase from Shewanella psychrophila WP2 (SpsCDA) was overexpressed in Escherichia coli BL21 and employed for deacetylation of chitin to chitosan. The produced chitosan was characterized, and its antifungal activity was investigated against Fusarium oxysporum. The purified recombinant SpsCDA appeared as a single band on SDS-PAGE at approximately 60 kDa, and its specific activity was 92 U/mg.
View Article and Find Full Text PDFMachine learning assisted classification RASAR modeling for the nephrotoxicity potential of a curated set of orally active drugs.
Sci Rep
January 2025
Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, 700 032, India.
We have adopted the classification Read-Across Structure-Activity Relationship (c-RASAR) approach in the present study for machine-learning (ML)-based model development from a recently reported curated dataset of nephrotoxicity potential of orally active drugs. We initially developed ML models using nine different algorithms separately on topological descriptors (referred to as simply "descriptors" in the subsequent sections of the manuscript) and MACCS fingerprints (referred to as "fingerprints" in the subsequent sections of the manuscript), thus generating 18 different ML QSAR models. Using the chemical spaces defined by the modeling descriptors and fingerprints, the similarity and error-based RASAR descriptors were computed, and the most discriminating RASAR descriptors were used to develop another set of 18 different ML c-RASAR models.
View Article and Find Full Text PDFData from the All of Us research program reinforces existence of activity inequality.
NPJ Digit Med
January 2025
Department of Biomedical Engineering, Duke University, Durham, NC, USA.
Large-scale and detailed analyses of activity in the United States (US) remain limited. In this work, we leveraged the comprehensive wearable, demographic, and survey data from the All of Us Research Program, the largest and most diverse population health study in the US to date, to apply and extend the previous global findings on activity inequality within the context of the US. We found that daily steps differed by sex at birth, age, body characteristics, geography, and built environment.
View Article and Find Full Text PDFChemodivergent, enantio- and regioselective couplings of alkynes, aldehydes and silanes enabled by nickel/N-heterocyclic carbene catalysis.
Sci Bull (Beijing)
December 2024
State Key Laboratory of Organometallic Chemistry, Shanghai Institute of Organic Chemistry, University of Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai 200032, China. Electronic address:
Divergent synthesis of valuable molecules through common starting materials and metal catalysis represents a longstanding challenge and a significant research goal. We here describe chemodivergent, highly enantio- and regioselective nickel-catalyzed reductive and dehydrogenative coupling reactions of alkynes, aldehydes, and silanes. A single chiral Ni-based catalyst is leveraged to directly prepare three distinct enantioenriched products (silyl-protected trisubstituted chiral allylic alcohols, oxasilacyclopentenes, and silicon-stereogenic oxasilacyclopentenes) in a single chemical operation.
View Article and Find Full Text PDFInhibition of urate induced pyroptosis and reabsorption transporters overexpression in human renal tubular epithelial cells by low molecular weight fucoidan, as well as its anticoagulation and antioxidation.
Int J Biol Macromol
January 2025
College of Chemistry and Environmental Sciences, Guangdong Ocean University, Zhanjiang 524088, China. Electronic address:
Low molecular weight fucoidan (LMWF) has been proved to be more potent than its prototype, many degradation methods have been used to prepare LMWF. This study is conducted to further explore the biological activities of LMWF prepared by ultrasound based on anticoagulation, antioxidation, and inhibition of urate induced pyroptosis and reabsorption transporters overexpression in human renal tubular epithelial cells. Data revealed that ultrasound successfully degraded fucoidan to be LMWF, the product treated for no more than 2.
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