HR-LCMS and evaluation of anti-diabetic activity of Hemidesmus indicus (anantmool): Kinetic study, and molecular modelling approach DOI
Sonali Kumari, Ravi Saini, Aditi Bhatnagar

et al.

Computational Biology and Chemistry, Journal Year: 2023, Volume and Issue: 105, P. 107896 - 107896

Published: May 22, 2023

Language: Английский

Orbit-Regenerated DNA Motor Based on Magnetic Separation for Sensitive and Sustainable Detection of Viral Rna and Acetamiprid DOI
Wei Li,

Shuaijing Wang,

Jiayue Li

et al.

Published: Jan. 1, 2025

Language: Английский

Citations

0
Track-regenerated DNA motor based on magnetic separation for sensitive and sustainable detection of viral RNA and acetamiprid DOI
Wei Li,

Shuaijing Wang,

Jiayue Li

et al.

Microchemical Journal, Journal Year: 2025, Volume and Issue: unknown, P. 113297 - 113297

Published: March 1, 2025

Language: Английский

Citations

0
Artificial intelligence in drug development for delirium and Alzheimer’s disease DOI Creative Commons
Ruixue Ai, Xianglu Xiao,

Shuling Deng

et al.

Acta Pharmaceutica Sinica B, Journal Year: 2025, Volume and Issue: unknown

Published: April 1, 2025

Language: Английский

Citations

0
Predicting bioactivity of antibiotic metabolites by molecular docking and dynamics DOI Creative Commons

Hokin Chio,

Ellen E. Guest, Jon L. Hobman

et al.

Journal of Molecular Graphics and Modelling, Journal Year: 2023, Volume and Issue: 123, P. 108508 - 108508

Published: May 15, 2023

Antibiotics enter the environment through waste streams, where they can exert selective pressure for antimicrobial resistance in bacteria. However, many antibiotics are excreted as partly metabolized forms, or be subject to partial breakdown wastewater treatment, soil, natural processes environment. If a metabolite is bioactive, even at sub-lethal levels, and also stable environment, then it could provide selection resistance. (5S)-penicilloic acid of piperacillin has previously been found complexed binding pocket penicillin protein 3 (PBP3) Pseudomonas aeruginosa. Here, we predicted affinities all potentially relevant antibiotic metabolites ten different penicillins that target protein, using molecular docking dynamics simulations. Docking predicts that, addition penicilloic acid, pseudopenicillin derivatives these penicillins, well 6-aminopenicillanic (6APA), bind this target. MD simulations further confirmed (5R)-pseudopenicillin 6APA acid. Thus, possible and, if contaminants This have considerable significance environmental surveillance means reduce resistance, because targeted mass spectrometry required native antibiotics.

Language: Английский

Citations

9
HR-LCMS and evaluation of anti-diabetic activity of Hemidesmus indicus (anantmool): Kinetic study, and molecular modelling approach DOI
Sonali Kumari, Ravi Saini, Aditi Bhatnagar

et al.

Computational Biology and Chemistry, Journal Year: 2023, Volume and Issue: 105, P. 107896 - 107896

Published: May 22, 2023

Language: Английский

Citations

9