Metode kompjuterski potpomognutog dizajniranja lekova u istraživanju novih potencijalnih terapeutika za neuropsihijatrijske i inflamatorne bolesti

  • Milica Radan Univerzitet u Beogradu - Farmaceutski fakultet, Katedra za farmaceutsku hemiju
  • Jelena Bošković Univerzitet u Beogradu - Farmaceutski fakultet, Katedra za farmaceutsku hemiju
  • Vladimir Dobričić Univerzitet u Beogradu - Farmaceutski fakultet, Katedra za farmaceutsku hemiju
  • Olivera Čudina Univerzitet u Beogradu - Farmaceutski fakultet, Katedra za farmaceutsku hemiju
  • Katarina Nikolić Univerzitet u Beogradu - Farmaceutski fakultet, Katedra za farmaceutsku hemiju
DOI: https://doi.org/10.5937/arhfarm71-32523
Ključne reči: CADD, 5-HT2A, D2, COX-2, 5-LOX

Sažetak


Proces otkrića i razvoja lekova je veoma zahtevan, skup i dugotrajan. Veliki tehnološki napredak u molekularnoj biologiji i kompjuterskim naukama je omogućio primenu metoda kompjuterski potpomognutog dizajniranja lekova (CADD) u različitim fazama procesa otkrića i razvoja lekova. Danas CADD predstavlja efikasnu i nezamenljivu alatku, koja se široko koristi u medicinskoj hemiji za racionalni dizajn i sintezu novih jedinjenja. U ovom preglednom radu biće prikazani CADD pristupi koji se najčešće koriste od procesa identifikacije hit jedinjenja do optimizacije lead jedinjenja. Pored toga, biće predstavljeni različiti aspekti u dizajnu višeciljnih liganada za neuropsihijatrijske i inflamatorne bolesti. Pokazano je da su ova jedinjenja veoma efikasna u lečenju složenih bolesti zbog veće efikasnosti i manje neželjenih efekata koje izazivaju. Antipsihotici koji deluju preko aminergičnih G-protein spregnutih receptora (GPCR), posebno preko dopaminskih D2 i serotoninskih 5-HT2A receptora, predstavljaju najbolju opcija za lečenje različitih simptoma povezanih sa neuropsihijatrijskim poremećajima. Pored toga, dizajn i sinteza dualnih inhibitora ciklooksigenaze-2 (COX-2) i 5- lipoksigenaze (5-LOX) takođe predstavlja uspešan pristup u otkrivanju novih antiinflamatornih lekova sa manje neželjenih efekata. Na kraju se može zaključiti da primena CADD metoda u procesu racionalnog dizajniranja lekova pruža značajnu priliku za dalji napredak jer omogućava brzu identifikaciju jedinjenja sa optimalnim polifarmakološkim profilom.

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Objavljeno
2021/08/27
Broj časopisa
Vol. 71 Br. Notebook 4 (2021): Arhiv za farmaciju
Rubrika
Pregledni (Revijalni) rad
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