Homology modeling methods are commonly used for quick and precise construction of a desired protein or its mutant using protein templates, which were determined by crystallography, cryo-EM, or NMR. Due to the increasing number of such structures, the obtained models are precise even in the case of small similarity between sequences of template and modeled proteins. The reason for that is a high evolutionary conservation in the structure regions responsible for keeping the function of proteins. This is also the case for G protein-coupled receptors (GPCRs), which constitute the largest family of membrane receptors with nearly 800 proteins. The GPCRM web service ( https://gpcrm.biomodellab.eu/ ) was set up for the nearly automatic generation of high-quality structures of modeled GPCRs. The three possible paths: "High similarity," "Quick path," and "Long path" allow the user to choose between a fast but less reliable path, up to more reliable but longer procedures. In the Advanced mode the service allows for user modifications including selection of template(s) and a manual adjustment of the sequence alignment.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1007/978-1-0716-1221-7_20 | DOI Listing |
Protein Sci
February 2025
Protein Biochemistry and Molecular Modeling Group, OGVFB, National Eye Institute, National Institutes of Health, Bethesda, Maryland, USA.
Oculocutaneous albinism is an autosomal recessive inherited disorder associated with mutations in the TYR gene. A single missense change in the tyrosinase (Tyr) could result in partial or complete loss of catalytic activity. The effect of two genetic mutations in the same Tyr as the molecule is less studied.
View Article and Find Full Text PDFBrief Bioinform
November 2024
Department of Electrical Engineering, City University of Hong Kong, 83 Tat Chee Ave, Kowloon Tong, Hong Kong (SAR), China.
Bacteriophages are viruses that target bacteria, playing a crucial role in microbial ecology. Phage proteins are important in understanding phage biology, such as virus infection, replication, and evolution. Although a large number of new phages have been identified via metagenomic sequencing, many of them have limited protein function annotation.
View Article and Find Full Text PDFPest Manag Sci
January 2025
School of Chemistry and Chemical Engineering, Guangxi University, Nanning, P. R. China.
Background: Plant diseases cause huge losses in agriculture worldwide every year, but the prolonged use of current commercial fungicides has led to the development of resistance in plant pathogenic fungi. Therefore, there is an urgent need to develop new, efficient, and green fungicides.
Results: Twenty-three nootkatone-based thiazole-hydrazone compounds were designed, synthesized, and characterized by Fourier-transform infrared (FTIR), proton (H) nuclear magnetic resonance (NMR), carbon-13 (C) NMR, and high-resolution mass spectrometry (HRMS).
Sci Rep
January 2025
Laboratory of Molecular Chemistry, Department of Chemistry, Faculty of Sciences Semlalia, Cadi Ayyad University, BP 2390, 40000, Marrakech, Morocco.
TMPRSS4, a transmembrane serine protease type II, is associated with various pathological illnesses. It has been found to activate SARS-CoV-2, enhance viral infection of human small-intestinal enterocytes and is overexpressed in different types of cancers. Therefore, this study aims to disover potential TMPRSS4 inhibitors that have better binding affinity than the approved inhibitors: 2-hydroxydiarylamide and tyroserleutide.
View Article and Find Full Text PDFMol Divers
January 2025
Shanghai Key Laboratory of Chemical Biology, School of Pharmacy, East China University of Science and Technology, Shanghai, People's Republic of China.
Succinate dehydrogenase (SDH) has been identified as one of the ideal targets for the development of novel nematicides. However, the resistance of nematodes to fluopyram, one of the commercialized SDH inhibitors, is becoming a growing concern. Since expanding the structural diversity around an active scaffold is a useful strategy for drug development, herein a series of fluopyram analogues with a broad, biologically relevant indole moiety were synthesized and evaluated for nematicidal activity against C.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!