GC-MS screening of the phytochemical composition of Ziziphus honey : ADME properties and in vitro/in silico study of its antimicrobial activity
A revival interest has been given to natural products as sources of phytocompounds to be used as alternative treatment against infectious diseases. In this context, we aimed to investigate the antimicrobial potential of Ziziphus honey (ZH) against twelve clinical bacterial strains and several yeasts and molds using in vitro and computational approaches. The well-diffusion assay revealed that ZH was able to induce growth inhibition of most Gram-positive and Gram-negative bacteria. The high mean growth inhibition zone (mGIZ) was recorded in E. coli (Clinical strain, 217), S. aureus followed by E. coli ATCC 10536 (mGIZ values: 41.00 ± 1 mm, 40.67 ± 0.57 mm, and 34.67 ± 0.57 mm, respectively). The minimal bactericidal concentrations (MBCs) and minimal fungicidal concentration values (MFCs) from approximately 266.33 mg/mL to over 532.65 mg/mL. Molecular docking results revealed that the identified compounds maltose, 2-furoic acid, isopropyl ester, 2,4-imidazolidinedione, 5-(2-methylpropyl)-(S)- and 3,4,5-trihydroxytoluene, S-Methyl-L-Cysteine, 2-Furancarboxylic acid, L-Valine-N-ethoxycarbonyl, Hexanoic acid, 3,5,5-trimethyl-, Methyl-beta-D-thiogalactoside, gamma-Sitosterol, d-Mannose, 4-O-Methylmannose, 2,4-Imidazolidinedione, 5-(2-methylpropyl)- (S) were found to have good affinity for targeted receptor, respectively. Through a 100-ns dynamic simulation research, binding interactions and stability between promising phytochemicals and the active residues of the studied enzymes were confirmed. The ADMET profiling of all identified compounds revealed that most of them could be qualified as biologically active with good absorption and permeation. Overall, the results highlighted the efficiency of ZH against the tested clinical pathogenic strains. The antimicrobial potential and the potency displayed by the identified compounds could imply their further pharmacological applications.Communicated by Ramaswamy H. Sarma.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2024 |
|---|---|
| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:42 |
|---|---|
| Enthalten in: |
Journal of biomolecular structure & dynamics - 42(2024), 3 vom: 18. Feb., Seite 1368-1380 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Bouali, Nouha [VerfasserIn] |
|---|
| Links: |
|---|
| Themen: |
Anti-Bacterial Agents |
|---|
| Anmerkungen: |
Date Completed 15.02.2024 Date Revised 15.02.2024 published: Print-Electronic Citation Status MEDLINE |
|---|
| doi: |
10.1080/07391102.2023.2205945 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM356936759 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM356936759 | ||
| 003 | DE-627 | ||
| 005 | 20240215231850.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 231226s2024 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1080/07391102.2023.2205945 |2 doi | |
| 028 | 5 | 2 | |a pubmed24n1294.xml |
| 035 | |a (DE-627)NLM356936759 | ||
| 035 | |a (NLM)37191027 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Bouali, Nouha |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a GC-MS screening of the phytochemical composition of Ziziphus honey |b ADME properties and in vitro/in silico study of its antimicrobial activity |
| 264 | 1 | |c 2024 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Completed 15.02.2024 | ||
| 500 | |a Date Revised 15.02.2024 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a A revival interest has been given to natural products as sources of phytocompounds to be used as alternative treatment against infectious diseases. In this context, we aimed to investigate the antimicrobial potential of Ziziphus honey (ZH) against twelve clinical bacterial strains and several yeasts and molds using in vitro and computational approaches. The well-diffusion assay revealed that ZH was able to induce growth inhibition of most Gram-positive and Gram-negative bacteria. The high mean growth inhibition zone (mGIZ) was recorded in E. coli (Clinical strain, 217), S. aureus followed by E. coli ATCC 10536 (mGIZ values: 41.00 ± 1 mm, 40.67 ± 0.57 mm, and 34.67 ± 0.57 mm, respectively). The minimal bactericidal concentrations (MBCs) and minimal fungicidal concentration values (MFCs) from approximately 266.33 mg/mL to over 532.65 mg/mL. Molecular docking results revealed that the identified compounds maltose, 2-furoic acid, isopropyl ester, 2,4-imidazolidinedione, 5-(2-methylpropyl)-(S)- and 3,4,5-trihydroxytoluene, S-Methyl-L-Cysteine, 2-Furancarboxylic acid, L-Valine-N-ethoxycarbonyl, Hexanoic acid, 3,5,5-trimethyl-, Methyl-beta-D-thiogalactoside, gamma-Sitosterol, d-Mannose, 4-O-Methylmannose, 2,4-Imidazolidinedione, 5-(2-methylpropyl)- (S) were found to have good affinity for targeted receptor, respectively. Through a 100-ns dynamic simulation research, binding interactions and stability between promising phytochemicals and the active residues of the studied enzymes were confirmed. The ADMET profiling of all identified compounds revealed that most of them could be qualified as biologically active with good absorption and permeation. Overall, the results highlighted the efficiency of ZH against the tested clinical pathogenic strains. The antimicrobial potential and the potency displayed by the identified compounds could imply their further pharmacological applications.Communicated by Ramaswamy H. Sarma | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Antimicrobial activity | |
| 650 | 4 | |a Ziziphus honey | |
| 650 | 4 | |a chemical composition | |
| 650 | 4 | |a molecular docking | |
| 650 | 4 | |a molecular dynamic | |
| 650 | 7 | |a Anti-Bacterial Agents |2 NLM | |
| 650 | 7 | |a Anti-Infective Agents |2 NLM | |
| 650 | 7 | |a Phytochemicals |2 NLM | |
| 700 | 1 | |a Ahmad, Iqrar |e verfasserin |4 aut | |
| 700 | 1 | |a Patel, Harun |e verfasserin |4 aut | |
| 700 | 1 | |a Alhejaili, Elham Bader |e verfasserin |4 aut | |
| 700 | 1 | |a Hamadou, Walid Sabri |e verfasserin |4 aut | |
| 700 | 1 | |a Badraoui, Riadh |e verfasserin |4 aut | |
| 700 | 1 | |a Hadj Lajimi, Ramzi |e verfasserin |4 aut | |
| 700 | 1 | |a Alreshidi, Mousa |e verfasserin |4 aut | |
| 700 | 1 | |a Siddiqui, Arif Jamal |e verfasserin |4 aut | |
| 700 | 1 | |a Adnan, Mohd |e verfasserin |4 aut | |
| 700 | 1 | |a Abdulhakeem, Mohammad A |e verfasserin |4 aut | |
| 700 | 1 | |a Bazaid, Abdulrahman S |e verfasserin |4 aut | |
| 700 | 1 | |a Patel, Mitesh |e verfasserin |4 aut | |
| 700 | 1 | |a Saeed, Mohd |e verfasserin |4 aut | |
| 700 | 1 | |a Snoussi, Mejdi |e verfasserin |4 aut | |
| 700 | 1 | |a Noumi, Emira |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Journal of biomolecular structure & dynamics |d 1985 |g 42(2024), 3 vom: 18. Feb., Seite 1368-1380 |w (DE-627)NLM012639974 |x 1538-0254 |7 nnns |
| 773 | 1 | 8 | |g volume:42 |g year:2024 |g number:3 |g day:18 |g month:02 |g pages:1368-1380 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1080/07391102.2023.2205945 |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |d 42 |j 2024 |e 3 |b 18 |c 02 |h 1368-1380 | ||