Structural and molecular modelling studies reveal a new mechanism of action of chloroquine and hydroxychloroquine against SARS-CoV-2 infection
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Antimicrobial Agents"
DOI: 10.1016/j.ijantimicag.2020.105960
Abstract: ABSTRACT The recent emergence of the novel pathogenic SARS-coronavirus 2 (SARS-CoV-2) is responsible for a worldwide pandemic. Given the global health emergency, drug repositioning is the most reliable option to design an efficient therapy for… read more here.
Keywords: new mechanism; structural molecular; clq; molecular modelling ... See more keywords
Structural Molecular Network for Nontargeted Screening and Prioritization of New Pollutants in Urban Wastewater.
Sign Up to like & getrecommendations! Published in 2025 at "Environmental science & technology"
DOI: 10.1021/acs.est.5c07353
Abstract: High-throughput screening of new pollutants is critical for effective wastewater treatment. However, processing nontargeted high-resolution mass spectrometry (HRMS) data presents significant challenges. Molecular networks offer a promising strategy for discovering new pollutants by constructing networks… read more here.
Keywords: new pollutants; urban wastewater; prioritization; structural molecular ... See more keywords
Polycaprolactone–Polyaniline Blend: Effects of the Addition of Cysteine on the Structural and Molecular Properties
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.6b10011
Abstract: Organic molecule conjugates usually arrange themselves into complex multiphase systems that are sensitive to processing and local chemical environment. Moreover, these conjugates are able to self-assemble at different scales, varying from nano- to macroscale. In… read more here.
Keywords: blend effects; addition; molecular properties; structural molecular ... See more keywords
Structural and molecular basis of the epistasis effect in enhanced affinity between SARS-CoV-2 KP.3 and ACE2
Sign Up to like & getrecommendations! Published in 2024 at "Cell Discovery"
DOI: 10.1038/s41421-024-00752-2
Abstract: The recent emergence of SARS-CoV-2 variants KP.2 and KP.3 has been marked by mutations F456L/R346T and F456L/Q493E, respectively, which significantly impact the virus’s interaction with human ACE2 and its resistance to neutralizing antibodies. KP.3, featuring… read more here.
Keywords: sars cov; basis epistasis; epistasis effect; structural molecular ... See more keywords
Deep mutational scanning and machine learning reveal structural and molecular rules governing allosteric hotspots in homologous proteins
Sign Up to like & getrecommendations! Published in 2022 at "eLife"
DOI: 10.1101/2022.05.01.490188
Abstract: A fundamental question in protein science is where allosteric hotspots – residues critical for allosteric signaling – are located, and what properties differentiate them. We carried out deep mutational scanning (DMS) of four homologous bacterial… read more here.
Keywords: structural molecular; allosteric hotspots; machine learning; deep mutational ... See more keywords
Structural and Molecular Evolution of Macrophomina spp. Isolated From Sesame in Eastern India: An In Silico Divergence Analysis
Sign Up to like & getrecommendations! Published in 2025 at "Plant Pathology"
DOI: 10.1111/ppa.14133
Abstract: Charcoal rot is a disease that is becoming more and more prevalent in sesame and is brought on by the fungus Macrophomina phaseolina. It significantly reduces yields all over the world. Understanding the pathogen's diversity… read more here.
Keywords: divergence; analysis; macrophomina spp; structural molecular ... See more keywords
Identification of Structural and Molecular Signatures Mediating Adaptive Changes in the Mouse Kidney in Response to Pregnancy
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms23116287
Abstract: Pregnancy is characterized by adaptations in the function of several maternal body systems that ensure the development of the fetus whilst maintaining health of the mother. The renal system is responsible for water and electrolyte… read more here.
Keywords: structural molecular; kidney pregnancy; mouse kidney; kidney ... See more keywords
Biochemical Interactions through Microscopic Techniques: Structural and Molecular Characterization
Sign Up to like & getrecommendations! Published in 2022 at "Polymers"
DOI: 10.3390/polym14142853
Abstract: Many researchers and scientists have contributed significantly to provide structural and molecular characterizations of biochemical interactions using microscopic techniques in the recent decade, as these biochemical interactions play a crucial role in the production of… read more here.
Keywords: structural molecular; microscopic techniques; microscopy; interactions microscopic ... See more keywords