التفاصيل البيبلوغرافية
| العنوان: |
Exploring Natural Compounds Targeting the Bacterial SHV Protein to Combat Antibiotic Resistance: A Biocomputational Study. |
| المؤلفون: |
Anjum, Farah1 farahanjum@tu.edu.sa, Banjer, Hamsa Jameel1, Hawsawi, Nahed1, Alsaeedi, Fouzeyyah Ali1, Alsaiari, Ahad Amer1, Alharthi, Afaf1, Almalki, Abdulraheem Ali1, Hulbah, Maram Jameel1, Alharthi, Norah1, Shafie, Alaa1, Bakhuraysah, Maha1 |
| المصدر: |
Advancements in Life Sciences. Nov2024, Vol. 11 Issue 4, p822-826. 5p. |
| مصطلحات موضوعية: |
*DRUG resistance in bacteria, *BACTERIAL enzymes, *ANTIBIOTICS, *VIRTUAL high-throughput screening (Drug development), *AMINO acids |
| مستخلص: |
Background: Antibiotic-resistant (AR) bacteria are rapidly spreading worldwide, posing a serious threat to antibiotic efficacy. Bacterial infections have emerged as a persistent threat following decades of antibiotic use. Sulfhydryl variable (SHV) is a well-known bacterial enzyme linked to AR. SHV has a high degree of genetic diversity, resulting in the existence of numerous distinct variants. Methods: The PyRx AutoDock VINA was used to conduct in-silico screening of a natural compound library to assess their interaction with the SHV-1 protein. SwissADME web tools were used to predict the physicochemical, drug-likeness, and ADMET properties of the selected compounds. Result: The compounds PSCdb00708, PSCdb00149, PSCdb00698, and PSCdb00175 bind strongly to the SHV-1 protein and interact strongly with the SHV-1 active site residues, as well as having several amino acid residue interactions in common with avibactam. These compounds exhibited higher binding affinity values than avibactam. Furthermore, these compounds demonstrated no violation of drug-likeness. Conclusion: The compounds PSCdb00708, PSCdb00149, PSCdb00698, and PSCdb00175 can be employed as SHV-1 inhibitors in the management of AR. However, experimental validation is required to optimize them as SHV-1 inhibitors. [ABSTRACT FROM AUTHOR] |
| قاعدة البيانات: |
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