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Total 224 results found since Jan 2013.
Identification of potential inhibitors against E.coli via novel approaches based on deep learning and quantum mechanics-based atomistic investigations
Arch Biochem Biophys. 2023 Sep 19:109761. doi: 10.1016/j.abb.2023.109761. Online ahead of print.ABSTRACTCurrently, drug resistance to commercially available antibiotics is imparting negative consequences to global health, and the development of novel antibiotics in a timely manner is a prime need of the hour. In the current study, an e-pharmacophore model was built using the 3D structure of DNA gyrase in complex with a standard inhibitor. The generated model was subjected to a pharmacophore based virtual screening against 45,257,086 molecules having 223,460,579 conformers available in MCULE database. Pharmacophore based sc...
Source: Archives of Biochemistry and Biophysics - September 21, 2023 Category: Biochemistry Authors: Mubashir Aziz Syeda Abida Ejaz Bshra A Alsfouk Ahlam Sultan Chen Li Source Type: research
Alterations of fecal microbiome and metabolome in pemphigus patients
J Autoimmun. 2023 Sep 13:103108. doi: 10.1016/j.jaut.2023.103108. Online ahead of print.ABSTRACTThe role of gut microbiome and metabolic substances in the development of autoimmune diseases has gradually been revealed. However, the relevant gut features in pemphigus have not been well clarified. We collected stool samples from pemphigus patients and healthy controls (HCs). Metagenomic sequencing and liquid chromatography-mass spectrometry (LC/MS) metabolome sequencing were performed to analyze the compositional and metabolic alternations of the gut microbiome in pemphigus patients and HCs. We observed the reduced richness ...
Source: Journal of Autoimmunity - September 15, 2023 Category: Allergy & Immunology Authors: Ziyu Guo Nam Yiu Zhi Hu Wenyu Zhou Xuan Long Miao Yang Jieyue Liao Guiying Zhang Qianjin Lu Ming Zhao Source Type: research
KsgA facilitates ribosomal small subunit maturation by proofreading a key structural lesion
Nat Struct Mol Biol. 2023 Aug 31. doi: 10.1038/s41594-023-01078-5. Online ahead of print.ABSTRACTRibosome assembly is orchestrated by many assembly factors, including ribosomal RNA methyltransferases, whose precise role is poorly understood. Here, we leverage the power of cryo-EM and machine learning to discover that the E. coli methyltransferase KsgA performs a 'proofreading' function in the assembly of the small ribosomal subunit by recognizing and partially disassembling particles that have matured but are not competent for translation. We propose that this activity allows inactive particles an opportunity to reassemble...
Source: Mol Biol Cell - August 31, 2023 Category: Molecular Biology Authors: Jingyu Sun Laurel F Kinman Dushyant Jahagirdar Joaquin Ortega Joseph H Davis Source Type: research
The Y-ome Conundrum: Insights into Uncharacterized Genes and Approaches for Functional Annotation
Mol Cell Biochem. 2023 Aug 23. doi: 10.1007/s11010-023-04827-8. Online ahead of print.ABSTRACTThe ever-increasing availability of genome sequencing data has revealed a substantial number of uncharacterized genes without known functions across various organisms. The first comprehensive genome sequencing of E. coli K12 revealed that more than 50% of its open reading frames corresponded to transcripts with no known functions. The group of protein-coding genes without a functional description and/or a recognized pathway, beginning with the letter "Y", is classified as the "y-ome". Several efforts have been made to elucidate th...
Source: Molecular and Cellular Biochemistry - August 23, 2023 Category: Biochemistry Authors: Salvia Sajid Maliha Mashkoor Mikkel Girke J ørgensen Lars Porskj ær Christensen Paul Robert Hansen Henrik Franzyk Osman Mirza Bala Krishna Prabhala Source Type: research
Genotypic diversity and recombination of norovirus GI.6P11 associated acute gastroenteritis outbreaks in Beijing, China, from 2016 to 2019
This study aimed to learn the epidemiological characteristics of 39 GI.6[P11] NoV outbreaks in Beijing, China, from 2016 to 2019 and to analyze the genetic diversity and phylogenetic process of GI.6[P11] strains. The Bayesian phylogenetic analysis of partial VP1 and RNA-dependent RNA polymerase (RdRp) genes showed that GI.6[P11] strains were clustered into four subclades. Eleven whole genome sequences were obtained through the amplicon sequencing with 16 pairs of newly designed primers. The phylogenetic trees based on the whole genome and ORF1, 2, and 3 showed that the clustering of the 11 strains was consistent with that ...
Source: Infection, Genetics and Evolution - August 19, 2023 Category: Genetics & Stem Cells Authors: Jiamei Fu Lingyu Shen Weihong Li Hanqiu Yan Baiwei Liu Yu Wang Yi Tian Lei Jia Quanyi Wang Daitao Zhang Zhiyong Gao Source Type: research
Quinoline Hydrazone Derivatives as New Antibacterials Against Multidrug Resistant Strains
Chem Biodivers. 2023 Aug 8:e202300839. doi: 10.1002/cbdv.202300839. Online ahead of print.ABSTRACTTo develop novel antimicrobial agents a series of 2(4)-hydrazone derivatives of quinoline were designed, synthesized and tested. QSAR models of the antibacterial activity of quinoline derivatives were developed by the OCHEM web platform using different machine learning methods. A virtual set of quinoline derivatives was verified with a previously published classification model of anti-E. coli activity and screened using the regression model of anti-S. aureus activity. Selected and synthesized 2(4)-hydrazone derivatives of quin...
Source: Chemistry and Biodiversity - August 8, 2023 Category: Biochemistry Authors: Diana Hodyna Vasyl Kovalishyn Yanina Romanenko Ivan Semenyuta Volodymyr Blagodatny Maryna Kachaeva Oleksandr Brazhko Larysa Metelytsia Source Type: research
