Antimicrobial and FAD synthetases modulating activities of leporins A-C isolated from the sponge-associated fungus Trichoderma sp. DOI Open Access
Fitje Losung, Elvy Like Ginting, Delfly B. Abdjul

et al.

Biodiversitas Journal of Biological Diversity, Journal Year: 2023, Volume and Issue: 24(12)

Published: Dec. 31, 2023

Abstract. Losung F, Ginting EL, Abdjul B, Kapojos MM, Maarisit W, Mentang Sumilat DA, Balansa Mangindaan REP. 2023. Antimicrobial and FAD synthetases modulating activities of leporins A-C isolated from the sponge-associated fungus Trichoderma sp. Biodiversitas 24: 6502-6515. The emergence microbial resistance poses a formidable threat to human health, requiring discovery new antibiotics. In this study, we investigated antimicrobial potential molecular structures metabolites produced by sponge's symbiont fungal species, sp., in vitro against S. aureus IAM 12544T Candida albicans IFM 4954 in-silico emerging antibacterial target, prokaryotic bifunctional (FADS). were determined using spectroscopic techniques (1D, 2D NMR, HRESIMS), while assessment biological activities, physicochemical properties, modifications was performed through slightly modified disk agar diffusion method, docking, SwissAdme pkCMS tools, bioisosterism, respectively. analysis data supported identification (1-3) as metabolites, which exhibited strong binding affinities 2X0K protein target (-8.9 -9.4 kcal/mol). Despite their being weaker than known FADS modulators such compounds 4 (-10.5 kcal/mol) 5 kcal/mol), demonstrated stronger affinity compound 6 (-9.6 -10.5 Notably, substituting methyl group with fluorine atom 1-3 resulted lepofluorins (1a-3a), enhanced improved properties compared existing modulators. These findings suggest that (1-3), particularly have putative novel FADS. This study provides valuable insights into design development antibiotics combat resistance.

Language: Английский

Predicting Antimicrobial Resistance Trends Combining Standard Linear Algebra with Machine Learning Algorithms DOI Creative Commons
Filippo Castiglione, Pēteris Daugulis, Emiliano Mancini

et al.

Baltic Journal of Modern Computing, Journal Year: 2024, Volume and Issue: 12(1)

Published: Jan. 1, 2024

Antimicrobial resistance prediction is a pivotal ongoing research activity that currently being explored across various levels.In this context, we present the application of two methods model antimicrobial Neisseria gonorrhoeae on national level as an outcome socio-economic processes.The use different implementations principal component analysis combined with classification algorithms.Using these methods, generated forecasts concerning gonorrhoeae, using publicly available databases encompassing over 200 countries from 1998 to 2021.Both approaches exhibit similar mean absolute averages and correlations when comparing measurements predictions.Steps statistical applications are discussed, including population-weighted central tendencies, geographical correlations, time trends error reduction possibilities.

Language: Английский

Citations

0
Comparative Genome Analysis Reveals Putative and Novel Antimicrobial Resistance Genes Common to the Nosocomial Infection Pathogens. DOI
Jesudass Joseph Sahayarayan, Thiyagarajan Ramesh,

Ragothaman Prathiviraj

et al.

Microbial Pathogenesis, Journal Year: 2024, Volume and Issue: unknown, P. 107028 - 107028

Published: Oct. 1, 2024

Language: Английский

Citations

0
Antimicrobial and FAD synthetases modulating activities of leporins A-C isolated from the sponge-associated fungus Trichoderma sp. DOI Open Access
Fitje Losung, Elvy Like Ginting, Delfly B. Abdjul

et al.

Biodiversitas Journal of Biological Diversity, Journal Year: 2023, Volume and Issue: 24(12)

Published: Dec. 31, 2023

Abstract. Losung F, Ginting EL, Abdjul B, Kapojos MM, Maarisit W, Mentang Sumilat DA, Balansa Mangindaan REP. 2023. Antimicrobial and FAD synthetases modulating activities of leporins A-C isolated from the sponge-associated fungus Trichoderma sp. Biodiversitas 24: 6502-6515. The emergence microbial resistance poses a formidable threat to human health, requiring discovery new antibiotics. In this study, we investigated antimicrobial potential molecular structures metabolites produced by sponge's symbiont fungal species, sp., in vitro against S. aureus IAM 12544T Candida albicans IFM 4954 in-silico emerging antibacterial target, prokaryotic bifunctional (FADS). were determined using spectroscopic techniques (1D, 2D NMR, HRESIMS), while assessment biological activities, physicochemical properties, modifications was performed through slightly modified disk agar diffusion method, docking, SwissAdme pkCMS tools, bioisosterism, respectively. analysis data supported identification (1-3) as metabolites, which exhibited strong binding affinities 2X0K protein target (-8.9 -9.4 kcal/mol). Despite their being weaker than known FADS modulators such compounds 4 (-10.5 kcal/mol) 5 kcal/mol), demonstrated stronger affinity compound 6 (-9.6 -10.5 Notably, substituting methyl group with fluorine atom 1-3 resulted lepofluorins (1a-3a), enhanced improved properties compared existing modulators. These findings suggest that (1-3), particularly have putative novel FADS. This study provides valuable insights into design development antibiotics combat resistance.

Language: Английский

Citations

0