Potential Piperolactam A Isolated From Piper betle as Natural Inhibitors of Brucella Species Aminoacyl-tRNA Synthetase for Livestock Infections: In Silico Approach.
Brucella sp
P. betle
aminoacyl‐tRNA synthetases (aaRS)
antibacterial
in silico
piperolactam A
Journal
Veterinary medicine and science
ISSN: 2053-1095
Titre abrégé: Vet Med Sci
Pays: England
ID NLM: 101678837
Informations de publication
Date de publication:
Nov 2024
Nov 2024
Historique:
revised:
12
08
2024
received:
02
03
2024
accepted:
30
08
2024
medline:
24
9
2024
pubmed:
24
9
2024
entrez:
24
9
2024
Statut:
ppublish
Résumé
Brucellosis is an important global zoonosis caused by the bacterium Brucella sp. Brucellosis causes abortions, reproductive failure and reduced milk production, resulting in significant economic losses. Brucella species are reported to be resistant to antibiotics, which makes treatment difficult. The urgency of discovering new drug candidates to combat Brucella's infection necessitates the exploration of novel alternative agents with unique protein targets. Aminoacyl-tRNA synthetases (aaRSs), which have fundamental functions in translation, inhibit this process, stop protein synthesis and ultimately inhibit bacterial growth. The purpose of this study was to isolate piperolactam A compounds from the methanol extract of Piper betle leaves that have potential as antibacterials to inhibit the growth of Brucella sp. causing brucellosis in livestock and to analyse the mechanism of inhibitory activity of piperolactam A compounds against the aaRS enzyme through a molecular docking approach in silico. Piperolactam A was isolated from P. betle by column chromatography and characterized by UV, IR, 1D and 2D NMRs and MS, then tested for their inhibition mechanism against the enzymes threonyl-tRNA synthetase, leucyl-tRNA synthetase (LeuRS) and methionyl-tRNA synthetase in silico. The result in silico test is that piperolactam A has the potential to inhibit LeuRS enzyme with the greater binding affinity.
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e70042Subventions
Organisme : Universitas Padjadjaran
Organisme : Academic Leadership Grant (ALG), Universitas Padjadjaran, Indonesia
ID : 1549/UN6.3.1/PT.00/2023 27 March 2023
Informations de copyright
© 2024 The Author(s). Veterinary Medicine and Science published by John Wiley & Sons Ltd.
Références
Amin, S. A., P. Bhattacharya, S. Basak, S. Gayen, A. Nandy, and A. Saha. 2017. “Pharmacoinformatics Study of Piperolactam a From Piper betle Root as New Lead for Non Steroidal Anti Fertility Drug Development.” Computational Biology and Chemistry 67: 213–224. https://doi.org/10.1016/j.compbiolchem.2017.01.004.
Atiya, A., M. A. Salim, B. N. Sinha, and U. Ranjan Lal. 2020. “Two New Anticancer Phenolic Derivatives From Leaves of Piper betle Linn.” Natural Product Research 35: 1–9.
Atiya, A., B. N. Sinha, and U. Ranjan Lal. 2018. “New Chemical Constituents From the Piper betle Linn. (Piperaceae).” Natural Product Research 32: 1080–1087. https://doi.org/10.1080/14786419.2017.1380018.
Boero, M. 2011. “LeuRS Synthetase: A First‐Principles Investigation of the Water‐Mediated Editing Reaction.” Journal of Physical Chemistry B 115: 12276–12286. https://doi.org/10.1021/jp2070024.
Chen, D. Z., H. B. Xiong, K. Tian, J. M. Guo, X. Z. Huang, and Z. Y. Jiang. 2013. “Two New Sphingolipids From the Leaves of Piper betle L.” Molecules (Basel, Switzerland) 18: 11241–11249. https://doi.org/10.3390/molecules180911241.
Cochrane, R., A. Norquay, and J. Vederas. 2016. “Natural Products and Their Derivatives as tRNA Synthetase Inhibitors and Antimicrobial Agents.” RSC Medical Chemistry Communication 7: 1535–1545. https://doi.org/10.1039/C6MD00274A.
Dai, C., J. Lin, H. Li, et al. 2022. “The Natural Product Curcumin as an Antibacterial Agent: Current Achievements and Problems.” Antioxidants 11: 1–21. https://doi.org/10.3390/antiox11030459.
Golshani, M., N. Vaeznia, M. Sahmani, and S. Bouzari. 2016. “In Silico Analysis of Brucella abortus Omp2b and In Vitro Expression of SOmp2b.” Clinical and Experimental Vaccine Research 5: 75–82. https://doi.org/10.7774/cevr.2016.5.1.75.
Guo, J., B. Chen, Y. Yu, et al. 2020. “Discovery of Novel tRNA‐Amino Acid Dual‐Site Inhibitors Against Threonyl‐tRNA Synthetase by Fragment‐Based Target Hopping.” European Journal of Medicinal Chemistry 187: 1–14. https://doi.org/10.1016/j.ejmech.2019.111941.
Gwida, M., S. Al Dahouk, F. Melzer, U. Rösler, H. Neubauer, and H. Tomaso. 2010. “Brucellosis‐ Regionally Emerging Zoonotic Disease?” Croatian Medical Journal 51: 289–295. https://doi.org/10.3325/cmj.2010.51.289.
Holt, H., J. Bedi, P. Kaur, et al. 2021. “Epidemiology of Brucellosis in Cattle and Dairy Farmers of Rural Ludhiana, Punjab.” PloS Neglected Tropical Disease 15: 1–17. https://doi.org/10.1371/journal.pntd.0009102.
Hurdle, J., A. O'Neill, and I. Chopra. 2005. “Prospects for Aminoacyl‐tRNA Synthetase Inhibitors as New Antimicrobial Agents.” Antimicrobial Agents and Chemotherapy 49: 4821–4833. https://doi.org/10.1128/AAC.49.12.4821‐4833.2005.
Kim, J., and J. Jung. 2024. “Highly Chromophoric Fluorescent‐Labeled Methionyl‐Initiator tRNAs Applicable in Living Cells.” Biotechnology Journal 19: e2300579. https://doi.org/10.1002/biot.202300579.
Kim, S., S. Bae, and M. Song. 2020. “Recent Development of Aminoacyl‐tRNA Synthetase Inhibitors for Human Diseases: A Future Perspective.” Biomolecules 10: 1–24. https://doi.org/10.3390/biom10121625.
Kumari, M., S. Chandra, N. Tiwari, and N. Subbarao. 2017. “High Throughput Virtual Screening to Identify Novel Natural Product Inhibitors for Methionyl tRNA‐Synthetase of Brucella melitensis.” Bioinformation 13: 8–16. https://doi.org/10.6026/97320630013008.
Kwon, N., P. Fox, and S. Kim. 2019. “Aminoacyl‐tRNA Synthetases as Therapeutic Targets.” Nature Reviews Drug Discovery 18: 629–650. https://doi.org/10.1038/s41573‐019‐0026‐3.
Lertnitikul, N., R. Suttisri, S. Sitthigool, et al. 2023. “Antioxidant, Antimicrobial and Cytotoxic Activities of Amides and Aristolactams From Piper wallichii (Miq.) Hand.‐Mazz. Stems.” Journal of Biologically Active Products From Nature 13: 94–104. https://doi.org/10.1080/22311866.2023.2211043.
Li, M., F. Wen, S. Zhao, et al. 2016. “Exploring the Molecular Basis for Binding of Inhibitors by Threonyl‐tRNA Synthetase From Brucella abortus: A Virtual Screening Study.” International Journal of Molecular Sciences 17: 1–13.
Li, M., J. Zhang, C. Liu, B. Fang, X. Wang, and W. Xiang. 2014. “Identification of Borrelidin Binding Site on Threonyl‐tRNA Synthetase.” Biochemical and Biophysical Research Communications 451: 485–490. https://doi.org/10.1016/j.bbrc.2014.07.100.
Lin, C., T. Hwang, C. Chien, H. Tu, and H. Lay. 2013. “A New Hydroxychavicol Dimer From the Roots of Piper betle.” Molecules (Basel, Switzerland) 18: 2563–2570. https://doi.org/10.3390/molecules18032563.
Lopes, L., R. Nicolino, and J. Haddad. 2010. “Brucellosis‐Risk Factors and Prevalence: A Review.” Open Veterinary Science Journal 4: 72–84. https://doi.org/10.2174/1874318801004010072.
Ochsner, U., C. Young, K. Stone, F. Dean, N. Janjic, and I. Critchley. 2005. “Mode of Action and Biochemical Characterization of REP8839, a Novel Inhibitor of Methionyl‐tRNA Synthetase.” Antimicrobial Agents Chemotherapy 49: 4253–4262. https://doi.org/10.1128/AAC.49.10.4253‐4262.2005.
Ojo, K., R. Ranade, Z. Zhang, et al. 2016. “Brucella melitensis Methionyl‐tRNA‐Synthetase (MetRS), a Potential Drug Target for Brucellosis.” PLoS ONE 11: 1–19.
Page, S., and P. Gautier. 2012. “Use of Antimicrobial Agents in Livestock.” Revue Scientifique et Technique 31: 145–188. https://doi.org/10.20506/rst.31.1.2106.
Pang, L., S. Weeks, and A. Van Aerschot. 2021. “Aminoacyl‐tRNA Synthetases as Valuable Targets for Antimicrobial Drug Discovery.” International Journal of Molecular Sciences 22: 1–34. https://doi.org/10.3390/ijms22041750.
Pantsar, T., and A. Poso. 2018. “Binding Affinity via Docking: Fact and Fiction.” Molecules (Basel, Switzerland) 23: 1–11. https://doi.org/10.3390/molecules23081899.
Rajendran, V., P. Kalita, H. Shukla, A. Kumar, and T. Tripathi. 2018. “Aminoacyl‐tRNA Synthetases: Structure, Function, and Drug Discovery.” International Journal of Biological Macromolecules 111: 400–414. https://doi.org/10.1016/j.ijbiomac.2017.12.157.
Rock, F., W. Mao, A. Yaremchuk, et al. 2007. “An Antifungal Agent Inhibits an Aminoacyl‐tRNA Synthetase by Trapping tRNA in the Editing Site.” Science 316: 1759–1761. https://doi.org/10.1126/science.1142189.
Rowaiye, A., A. Ogugua, G. Ibeanu, et al. 2022. “Identifying Potential Natural Inhibitors of Brucella melitensis Methionyl‐tRNA Synthetase Through an In‐Silico Approach.” PLoS Neglected Tropical Disease 16: 1–23. https://doi.org/10.1371/journal.pntd.0009799.
Ruan, Z. R., Z. P. Fang, Q. Ye, et al. 2015. “Identification of Lethal Mutations in Yeast Threonyl‐tRNA Synthetase Revealing Critical Residues in Its Human Homolog.” Journal of Biological Chemistry 290: 1664–1678. https://doi.org/10.1074/jbc.M114.599886.
Salleh, W., N. Abdullah, N. Hashim, H. Khong, and S. Khamis. 2019. “Aporphine Alkaloids From Piper erecticaule and Acetylcholinesterase Inhibitory Activity.” Boletín Latinoamericano y del Caribe de Plantas Medicinales y Aromáticas 18: 527–532. https://doi.org/10.35588/blacpma.19.18.5.35.
Travin, D., K. Severinov, and S. Dubiley. 2021. “Natural Trojan Horse Inhibitors of Aminoacyl‐tRNA Synthetases.” RSC Chemical Biology 2: 468–485. https://doi.org/10.1039/D0CB00208A.
Trott, D., S. Abraham, and B. Adler. 2018. “Antimicrobial Resistance in Leptospira, Brucella, and Other Rarely Investigated Veterinary and Zoonotic Pathogens.” Microbiology Spectrum 6: 1–11. https://doi.org/10.1128/microbiolspec.ARBA‐0029‐2017.
von Bargen, K., J. Gorvel, and S. Salcedo. 2012. “Internal Affairs: Investigating the Brucella Intracellular Lifestyle.” FEMS Microbiology Reviews 36: 533–562. https://doi.org/10.1111/j.1574‐6976.2012.00334.x.
Wang, L., Y. Lin, Y. Bian, et al. 2014. “Leucyl‐tRNA Synthetase Regulates Lactation and Cell Proliferation via mTOR Signaling in Dairy Cow Mammary Epithelial Cells.” International Journal of Molecular Sciences 15: 5952–5969. https://doi.org/10.3390/ijms15045952.
Wareth, G., M. Dadar, H. Ali, et al. 2022. “The Perspective of Antibiotic Therapeutic Challenges of Brucellosis in the Middle East and North African Countries: Current Situation and Therapeutic Management.” Transboundary and Emerging Diseases 69, no. 5: e1253–e1268. https://doi.org/10.1111/tbed.14502.
Woon, C. K., F. B. Ahmad, and N. H. Zamakshshari. 2023. “Chemical Constituents and Biological Activities of Piper as Anticancer Agents: A Review.” Chemistry & Biodiversity 20: e202300166.
Zamri‐Saad, M., and M. Kamarudin. 2016. “Control of Animal Brucellosis: The Malaysian Experience.” Asian Pacific Journal of Tropical Medicine 9: 1136–1140. https://doi.org/10.1016/j.apjtm.2016.11.007.
Zhang, P., and S. Ma. 2019. “Recent Development of Leucyl‐tRNA Synthetase Inhibitors as Antimicrobial Agents.” MedChemComm 10: 1329–1341. https://doi.org/10.1039/C9MD00139E.