اخبار و اعلانات

 آمار

تعداد نشریات285
تعداد نشریات سازمان83
تعداد شماره‌ها3,094
تعداد مقالات34,539
تعداد مشاهده مقاله49,430,607
تعداد دریافت فایل اصل مقاله79,867,471
Barahoei, Hossein, Fazeli-Nasab, Bahman, Saberi, Morteza. (1404). In Silico Investigation on the Effect of Extraction of Rhazya stricta on the Venom of Androctonus rostami in the Sistan Region by Molecular Docking. سامانه مدیریت نشریات علمی, 14(6), 624-631. doi: 10.22034/jmpb.2025.368636.1899
Hossein Barahoei; Bahman Fazeli-Nasab; Morteza Saberi. "In Silico Investigation on the Effect of Extraction of Rhazya stricta on the Venom of Androctonus rostami in the Sistan Region by Molecular Docking". سامانه مدیریت نشریات علمی, 14, 6, 1404, 624-631. doi: 10.22034/jmpb.2025.368636.1899
Barahoei, Hossein, Fazeli-Nasab, Bahman, Saberi, Morteza. (1404). 'In Silico Investigation on the Effect of Extraction of Rhazya stricta on the Venom of Androctonus rostami in the Sistan Region by Molecular Docking', سامانه مدیریت نشریات علمی, 14(6), pp. 624-631. doi: 10.22034/jmpb.2025.368636.1899
Barahoei, Hossein, Fazeli-Nasab, Bahman, Saberi, Morteza. In Silico Investigation on the Effect of Extraction of Rhazya stricta on the Venom of Androctonus rostami in the Sistan Region by Molecular Docking. سامانه مدیریت نشریات علمی, 1404; 14(6): 624-631. doi: 10.22034/jmpb.2025.368636.1899

In Silico Investigation on the Effect of Extraction of Rhazya stricta on the Venom of Androctonus rostami in the Sistan Region by Molecular Docking

Journal of Medicinal plants and By-products
مقاله 15، دوره 14، شماره 6، بهمن و اسفند 2025، صفحه 624-631    اصل مقاله (1.22 M)
نوع مقاله: Research Paper
شناسه دیجیتال (DOI): 10.22034/jmpb.2025.368636.1899
نویسندگان
Hossein Barahoei* 1؛ Bahman Fazeli-Nasab1؛ Morteza Saberi* 2
1Department of Agronomy and Plant Breeding, Agricultural Institute, Research Institute of Zabol, Zabol, Iran
2Department of Range and Watershed Management, Faculty of Water and Soil, University of Zabol, Zabol, Iran
چکیده
Scorpion stings are a major health issue in Iran, with around 50,000 cases yearly. Current antivenom treatments face challenges like availability and side effects, prompting the search for alternatives. Medicinal plants, such as Rhazya stricta Decne., offer potential due to their cost-effectiveness, fewer side effects, and environmental benefits. This study investigates the interactions between R. stricta phytochemicals and venom components of Androctonus rostami, a scorpion species in eastern Iran. Using in silico methods, the research aims to identify bioactive compounds that neutralize venom, potentially leading to plant-based antivenom therapies. Gene and protein sequences from R. stricta were analyzed using NCBI data. In silico analysis was performed using NCBI, Expasy, and ClustalW. Protein tertiary structures were predicted using Swiss-Model, ESYPred3D, and Galaxy Web, visualized with Weblab ViewerLite and RasMol, and assessed via PROCHECK and Ramachandran plots. ACRA4 peptide effects on Quebrachamine protein expression were investigated using PubMed, HGNC, MBC, and ProtScale databases, focusing on sodium channel and neuronal changes. The in silico analysis revealed significant interactions between several phytochemicals of R. stricta and key venom components of A. rostami. Specifically, compounds like quebrachamine, rhazyaminine, and certain alkaloids exhibited strong binding affinities to neurotoxins such as Acra4, a sodium channel neurotoxin, and phospholipases A2. These interactions suggest a potential mechanism for neutralizing the venom's neurotoxic effects and inflammatory responses. Furthermore, flavonoids and saponins present in R. stricta showed interactions with hyaluronidases, potentially inhibiting venom spread. These findings indicate that R. stricta harbors bioactive compounds capable of counteracting multiple facets of A. rostami venom. In silico analysis suggests R. stricta may contain antivenom compounds against A. rostami. Further research is needed to validate these interactions and explore R. stricta's potential as a cost-effective, plant-based antivenom alternative.
کلیدواژه‌ها
Androctonus؛ Antivenom؛ In silico analysis؛ Rhazya stricta؛ Scorpion sting
مراجع
  1. Abdollahnia A., Bahmani K., Aliahmadi A., As’habi M.A., Ghassempour A. Mass spectrometric analysis of Odonthobuthus Doriae scorpion venom and its non-neutralized fractions after interaction with commercial antivenom. Scientific Reports. 2024; 14(1): 10389.
  2. Salabi F., Vazirianzadeh B., Baradaran M. Identification, classification, and characterization of alpha and beta subunits of LVP1 protein from the venom gland of four Iranian scorpion species. Scientific Reports. 2023; 13(1): 22277.
  3. El-Qassas J., Abd El-Atti M., El-Badri N. Harnessing the potency of scorpion venom-derived proteins: applications in cancer therapy. Bioresources and Bioprocessing. 2024; 11(1): 93.
  4. Santhosh K.N., Pavana D., Shruthi B.R., Thippeswamy N.B. Protein profile of scorpion venom from Hottentotta rugiscutis and its immunogenic potential in inducing long term memory response. Toxicon. 2022; 205: 71-78.
  5. Cardoso-Arenas S., Clement H., Arenas I., Olvera F., Zamudio F., Caliskan F., Corrales-García L.L., Corzo G. Recombinant expression and antigenicity of two peptide families of neurotoxins from Androctonus sp. Journal of Venomous Animals and Toxins including Tropical Diseases. 2022; 28: e20220026.
  6. Mohammad G., Zohreh A., Fatemeh G. Morphometric Indices and Venom Protein Profile in Different Populations of Androctonus crassicauda. Journal of Arthropod-Borne Diseases. 2022; 16(1).
  7. Burke J.E., Dennis E.A. Phospholipase A2 biochemistry. Cardiovascular Drugs and Therapy. 2009; 23(1): 49-59.
  8. Ozkan O., Kar S., Güven E., Ergun G. Comparison of proteins, lethality and immunogenic compounds of Androctonus crassicauda (Olivier, 1807)(Scorpiones: Buthidae) venom obtained by different methods. Journal of Venomous Animals and Toxins including Tropical Diseases. 2007; 13: 844-856.
  9. Davari A., Solouki M., Fazeli-Nasab B. Effects of jasmonic acid and titanium dioxide nanoparticles on process of changes of phytochemical and antioxidant in genotypes of Satureja hortensis L. Eco-Phytochemical Journal of Medicinal Plants. 2018; 5(4): 1-20.
  10. Fazeli-Nasab B., Mirzaei N. Evaluation of total phenol and flavonoid content in a wide variety of native and imported plants. Scientific Journal of Ilam University of Medical Sciences. 2018; 26(2): 141-154.
  11. Obaid A.Y., Sabir J.S.M., Atef A., Liu X., Edris S., El-Domyati F.M., Mutwakil M.Z., Gadalla N.O., Hajrah N.H., Al-Kordy M.A., Hall N., Bahieldin A., Jansen R.K. Analysis of transcriptional response to heat stress in Rhazya stricta. BMC Plant Biology. 2016; 16(1): 252.
  12. Albeshri A., Baeshen N.A., Bouback T.A., Aljaddawi A.A. A Review of Rhazya stricta Decne Phytochemistry, Bioactivities, Pharmacological Activities, Toxicity, and Folkloric Medicinal Uses. Plants. 2021; 10(11): 2508.
  13. Iqbal W., Alkarim S., Kamal T., Choudhry H., Sabir J., Bora R.S., Saini K.S. Rhazyaminine from Rhazya stricta Inhibits Metastasis and Induces Apoptosis by Downregulating Bcl-2 Gene in MCF7 Cell Line. Integrative Cancer Therapies. 2019; 18: 1534735418809901.
  14. Albeshri A., Baeshen N.A., Bouback T.A., Aljaddawi A.A. A Review of Rhazya stricta Decne Phytochemistry, Bioactivities, Pharmacological Activities, Toxicity, and Folkloric Medicinal Uses. Plants (Basel). 2021; 10(11).
  15. Alawad A.O., Alagrafi F.S., Alfahad A.J., Alamari H.A., Alghamdi F.O., Fallatah H.M., Aodah A.H., Alyousef S.S., Bakhrebah M.A., Alanazi I.O., Fallatah M.M. Effects of Rhazya Stricta plant organic extracts on human induced pluripotent stem cells derived neural stem cells. PLOS ONE. 2023; 18(7): e0288032.
  16. Alawad A.O., Alagrafi F.S., Alfahad A.J., Alamari H.A., Alghamdi F.O., Fallatah H.M., Aodah A.H., Alyousef S.S., Bakhrebah M.A., Alanazi I.O. Effects of Rhazya Stricta plant organic extracts on human induced pluripotent stem cells derived neural stem cells. Plos one. 2023; 18(7): e0288032.
  17. Fonslow B.R., Stein B.D., Webb K.J., Xu T., Choi J., Park S.K., Yates J.R., 3rd. Digestion and depletion of abundant proteins improves proteomic coverage. Nature Methods. 2013; 10(1): 54-56.
  18. Liu H., Yuan W., Ran M.-Y., Wei G., Zhao Y., Liao Z.-Q., Liang H., Chen Z.-F., Wang F.-X. Total Synthesis of Quebrachamine and Kopsiyunnanine D. The Journal of Organic Chemistry. 2024; 89(8): 5905-5910.
  19. Engh R.A., Huber R. Accurate bond and angle parameters for X-ray protein structure refinement. Acta Crystallographica Section A: Foundations of Crystallography. 1991; 47(4): 392-400.
  20. Deutsch H.F., Evenson M.A., Drescher P., Sparwasser C., Madsen P.O. Isolation and biological activity of aspidospermine and quebrachamine from an Aspidosperma tree source. Journal of Pharmaceutical and Biomedical Analysis. 1994; 12(10): 1283-1287.
  21. de Almeida V.L., Silva C.G., Silva A.F., Campana P.R.V., Foubert K., Lopes J.C.D., Pieters L. Aspidosperma species: A review of their chemistry and biological activities. Journal of Ethnopharmacology. 2019; 231: 125-140.
  22. Sattely E.S., Meek S.J., Malcolmson S.J., Schrock R.R., Hoveyda A.H. Design and stereoselective preparation of a new class of chiral olefin metathesis catalysts and application to enantioselective synthesis of quebrachamine: catalyst development inspired by natural product synthesis. Journal of the American Chemical Society. 2009; 131(3): 943-953.
  23. Soltan-Alinejad P., Alipour H., Soltani A., Asgari Q., Ramezani A., Mehrabani D., Azizi K. Molecular Characterization and In Silico Analyses of Maurolipin Structure as a Secretory Phospholipase A (2) (sPLA(2)) from Venom Glands of Iranian Scorpio maurus (Arachnida: Scorpionida). Journal of Tropical Medicine. 2022; 2022: 1839946.
  24. Soltan-Alinejad P., Alipour H., Meharabani D., Azizi K. Therapeutic potential of bee and scorpion venom phospholipase A2 (PLA2): a narrative review. Iranian Journal of Medical Sciences. 2022; 47(4): 300.
  25. Pontén F., Gry M., Fagerberg L., Lundberg E., Asplund A., Berglund L., Oksvold P., Björling E., Hober S., Kampf C., Navani S., Nilsson P., Ottosson J., Persson A., Wernérus H., Wester K., Uhlén M. A global view of protein expression in human cells, tissues, and organs. Molecular Systems Biology. 2009; 5: 337.
  26. Capetanaki Y.G., Ngai J., Flytzanis C.N., Lazarides E. Tissue-specific expression of two mRNA species transcribed from a single vimentin gene. Cell. 1983; 35(2 Pt 1): 411-420.
  27. Hammarlund M., Hobert O., Miller D.M., 3rd, Sestan N. The CeNGEN Project: The Complete Gene Expression Map of an Entire Nervous System. Neuron. 2018; 99(3): 430-433.
  28. Rehman A., Fatima I., Wang Y., Tong J., Noor F., Qasim M., Peng Y., Liao M. Unveiling the multi-target compounds of Rhazya stricta: Discovery and inhibition of novel target genes for the treatment of clear cell renal cell carcinoma. Computers in Biology and Medicine. 2023; 165: 107424.
  29. Laforest S., Pelletier M., Denver N., Poirier B., Nguyen S., Walker B.R., Durocher F., Homer N.Z.M., Diorio C., Andrew R., Tchernof A. Estrogens and Glucocorticoids in Mammary Adipose Tissue: Relationships with Body Mass Index and Breast Cancer Features. The Journal of Clinical Endocrinology and Metabolism. 2020; 105(4): e1504-1516.
  30. Pourahmad Jaktaji R., Jazayeri N. Expression of acrA and acrB Genes in Esherichia coli Mutants with or without marR or acrR Mutations. Iranian Journal of Basic Medical Sciences. 2013; 16(12): 1254-1258.
  31. Kothari C., Diorio C., Durocher F. The Importance of Breast Adipose Tissue in Breast Cancer. International Journal of Molecular Sciences. 2020; 21(16): 5760.
  32. Kaspar H., Dettmer K., Gronwald W., Oefner P.J. Automated GC-MS analysis of free amino acids in biological fluids. Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences. 2008; 870(2): 222-232.
  33. Stenerson K.K. The derivatization and analysis of amino acids by GC-MS. Reporter US. 2011; 25: 1-3.
  34. Zhang G., Annan R.S., Carr S.A., Neubert T.A. Overview of peptide and protein analysis by mass spectrometry Current Protocols in Protein Science (2010/11/26 ed., Vol. Chapter 16, pp. Unit16.11). 2010
  35. Krayem N., Gargouri Y. Scorpion venom phospholipases A2: A minireview. Toxicon. 2020; 184: 48-54.
  36. Teixeira S.C., Borges B.C., Oliveira V.Q., Carregosa L.S., Bastos L.A., Santos I.A., Jardim A.C.G., Melo F.F., Freitas L.M., Rodrigues V.M., Lopes D.S. Insights into the antiviral activity of phospholipases A(2) (PLA(2)s) from snake venoms. International Journal of Biological Macromolecules. 2020; 164: 616-625.
  37. Krayem N., Alonazi M., Khemakhem B.,
آمار
تعداد مشاهده مقاله: 332
تعداد دریافت فایل اصل مقاله: 188


counter
سامانه مدیریت نشریات علمی. طراحی و پیاده سازی از سیناوب