Computational and in vitro analyses of the antibacterial effect of the ethanolic extract of Pluchea indica L. leaves DOI Open Access
Dwi Kusuma Wahyuni,

Junairiah Junairiah,

Chery Rosyanti

et al.

Biomedical Reports, Journal Year: 2024, Volume and Issue: 21(4)

Published: July 29, 2024

The most common gram-negative, Escherichia coli, and gram-positive bacteria, Bacillus spp., have evolved different mechanisms that caused the emergence of multi-drug resistance. As a result, drugs block bacterial growth cycle are needed. Here, in silico vitro studies were performed to assess compounds in Pluchea indica leaf extract, medicinal plant, can inhibit proteins. Briefly, P. leaves extracted using ethanol. crude extract was then subjected gas chromatography-mass spectrometry for metabolite screening. Molecular docking simulations with rhomboid protease (Rpro) (Protein data bank ID number: 3ZMI from E. coli filamenting temperature-sensitive mutant Z (FtsZ) protein 2VAM Bacillus subtilis performed. Moreover, well diffusion method used confirm antibacterial activity extract. A total 10 identified computational analysis. Based on drug-likeness prediction, may be drug-like molecules. Binding affinity tests indicated 10,10-Dimethyl-2,6-dimethylenebicyclo(7.2.0)undecan-5.β.-ol 11,11-Dimethyl-4,8-dimethylenebicyclo(7.2.0)undecan-3-ol had negative values. Accordingly, these potential ligands bind root mean square fluctuation values <2 Å, indicating stable binding ligand-protein complex. According assays, high concentration (50%) markedly inhibited B. subtilis, inhibitory zone diameters 31.86±1.63 21.09±0.09 mm, respectively. Overall, as functional inhibitors proteins via This facilitate development agents.

Language: Английский

Current drug strategies for the treatment and control of schistosomiasis DOI

María Alejandra Villamizar-Monsalve,

Julio López‐Abán,

Belén Vicente

et al.

Expert Opinion on Pharmacotherapy, Journal Year: 2024, Volume and Issue: 25(4), P. 409 - 420

Published: March 3, 2024

Introduction Schistosomiasis, one of the current Neglected Tropical Diseases (NTDs) affects over 230 million people globally, with nearly 700 at risk in more than 74 countries. Praziquantel (PZQ) has served as primary treatment for past four decades; however, its effectiveness is limited it solely eliminates adult worms. In regions where infections are frequent, PZQ exhibits only temporary efficacy and restricted potential to disrupt prolonged transmission disease.

Language: Английский

Citations

6
Computational and in vitro analyses of the antibacterial effect of the ethanolic extract of Pluchea indica L. leaves DOI Open Access
Dwi Kusuma Wahyuni,

Junairiah Junairiah,

Chery Rosyanti

et al.

Biomedical Reports, Journal Year: 2024, Volume and Issue: 21(4)

Published: July 29, 2024

The most common gram-negative, Escherichia coli, and gram-positive bacteria, Bacillus spp., have evolved different mechanisms that caused the emergence of multi-drug resistance. As a result, drugs block bacterial growth cycle are needed. Here, in silico vitro studies were performed to assess compounds in Pluchea indica leaf extract, medicinal plant, can inhibit proteins. Briefly, P. leaves extracted using ethanol. crude extract was then subjected gas chromatography-mass spectrometry for metabolite screening. Molecular docking simulations with rhomboid protease (Rpro) (Protein data bank ID number: 3ZMI from E. coli filamenting temperature-sensitive mutant Z (FtsZ) protein 2VAM Bacillus subtilis performed. Moreover, well diffusion method used confirm antibacterial activity extract. A total 10 identified computational analysis. Based on drug-likeness prediction, may be drug-like molecules. Binding affinity tests indicated 10,10-Dimethyl-2,6-dimethylenebicyclo(7.2.0)undecan-5.β.-ol 11,11-Dimethyl-4,8-dimethylenebicyclo(7.2.0)undecan-3-ol had negative values. Accordingly, these potential ligands bind root mean square fluctuation values <2 Å, indicating stable binding ligand-protein complex. According assays, high concentration (50%) markedly inhibited B. subtilis, inhibitory zone diameters 31.86±1.63 21.09±0.09 mm, respectively. Overall, as functional inhibitors proteins via This facilitate development agents.

Language: Английский

Citations

0