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Screening of constituents of the essential oil of Satureja montana in the potential treatment of COVID 19 using computational methods ; Skrining konstituenata etarskog ulja Satureja montana u potencijalnom lečenju COVID 19 primenom kompjuterskih metoda

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  • Additional Information
    • Publication Information:
      Savez farmaceutskih udruženja Srbije (SFUS)
    • Publication Date:
      2022
    • Collection:
      FarFaR - Pharmacy Repository (Univ. of Belgrade, Fac. of Pharmacy)
    • Abstract:
      Constituents of essential oil of Satureja Montana (SM) were investigated in aim of elucidation of potential activities on viruses that can be transcribed in genetic material, such are SARS CoV 2 and HIV. Chemical structures of constituents (34) of the SM essential oil were built and geometry optimized using ChemDraw ultra 8.0 and Chem3D Pro 8.0 programs. Prediction of potential interactions for each constituents with large number of targets was performed by SwissTargetPrediction program. Results indicate that constituents, with certain level of probability, can be involved in interactions with some targets significant for antiviral activity, in direct or indirect mode, such are adenosine receptors type 1, UDP- glukuronosyltransferases, receptor-dependent transport channels, peroxisome-proliferator activated receptor alpha, GLI 2, as well as some other targets. Since in this work just constituents of SM essential oil were investigated, further studies should be directed towards investigation of full content of SM, in various solvents, for elucidation of mechanisms of action of this plant in therapy of viremias, presumably for supposed inhibition of transcription of viruses. ; Konstituenti esencijalnog ulja Satureja Montana (SM) ispitivani su u cilju razjašnjenja njihovog potencijalnog delovanja na viruse koji se mogu inkorporirati u genetski materijal, kao što su SARS CoV 2 i HIV. Hemijske strukture konstituenata (34) esencijalnog ulja SM su prikazane i optimizovane korišćenjem programa ChemDraw ultra 8.0 i Chem3D Pro 8.0. Predviđanje potencijalnih interakcija za svaki konstituent sa velikim brojem bioloških targeta izvršeno je u programu SwissTargetPrediction. Rezultati ukazuju na to da konstituenti, sa odgovarajućom predviđenom verovatnoćom, stupaju u interakcije sa određenim targetima koji mogu biti od značaja za dejstvo na viruse na posredan ili neposredan način, od kojih su najznačajniji adenozinski receptor tipa 1, UDP-glukuronozil transferaza, receptor-zavisni transportni kanali, alfa receptor aktiviran ...
    • ISSN:
      0004-1963
    • Relation:
      info:eu-repo/grantAgreement/MESTD/inst-2020/200161/RS//; https://farfar.pharmacy.bg.ac.rs/handle/123456789/4593; http://farfar.pharmacy.bg.ac.rs/bitstream/id/12402/Screening_of_constituents_pub_2022.pdf; https://hdl.handle.net/21.15107/rcub_farfar_4593
    • Online Access:
      https://farfar.pharmacy.bg.ac.rs/handle/123456789/4593
      http://farfar.pharmacy.bg.ac.rs/bitstream/id/12402/Screening_of_constituents_pub_2022.pdf
      https://hdl.handle.net/21.15107/rcub_farfar_4593
    • Rights:
      openAccess ; https://creativecommons.org/licenses/by-sa/4.0/ ; BY-SA
    • Accession Number:
      edsbas.3E70FF13