Antimicrobial activity, docking and ADMET profiling of Salvia rosmarinus compounds on a targeting enzymes in cervical cancer
Salvia rosmarinus is an ornamental garden plant with leaves that have fragrance and medicinal uses. The aim of the present study is to investigate the chemical composition, antimicrobial effects of Salvia rosmarinus leaf extracts, and evaluate the anticancer effects of its compounds against targetin...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Maximum Academic Press
2024-01-01
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| Series: | Ornamental Plant Research |
| Subjects: | |
| Online Access: | https://www.maxapress.com/article/doi/10.48130/opr-0024-0026 |
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| Summary: | Salvia rosmarinus is an ornamental garden plant with leaves that have fragrance and medicinal uses. The aim of the present study is to investigate the chemical composition, antimicrobial effects of Salvia rosmarinus leaf extracts, and evaluate the anticancer effects of its compounds against targeting enzymes called DNMT1 and HPV type 16 E6 in human cervical cancer through docking and ADMET profiling. In-vitro and in-silico methods were used to assess antimicrobial activity and drug-likeness, utilizing agar-discs and Biovia-2021 software for testing, and docking and ADMET profiling for analysis. Statistical analysis was performed using Microsoft Windows with GraphPad Prism version 8.0.1 (244). The plant leaves extract had indicated vastly present phytochemicals and high antimicrobial activity, with varying efficacy in inhibiting pathogens in a dose-dependent-manner (50−100 μg·mL−1). Petroleum ether extracts showed high antibacterial properties against S. aureus and S. epidermidis with inhibition zones of 21.37 ± 0.78 and 17.50 ± 0.50 mm at 100 μg·mL−1, respectively. However, this extract exhibited a comparatively lower inhibition zone against gram-negative bacteria such as E. coli, P. aeruginosa, and K. pneumoniae, respectively, and stronger antifungal activity 20.83 ± 0.76 mm inhibition-zone against C. albicans fungi. The methanol/chloroform (1:1) extract of the plant leaves yielded micromeric (1) and benzocaine (2) and both compounds showed good binding-affinity with DNMT1 (PDB ID: 4WXX) with minimum binding energy of −8.4 kcal·mol−1 and −5.3 kcal·mol−1 respectively similar to those of standard. HPV type 16 E6 (PDB ID: 4XR8) interacts similarly with compound 1 (–10.1 kcal·mol−1) and 2 (–6.5 kcal·mol−1) as Jaceosidin (–8.8 kcal·mol−1). The plant studied shows antimicrobial activities, with the potential for treating cervical cancer but required further study. |
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| ISSN: | 2769-2094 |