New Drug Design to Suppress Nonalcoholic Steatohepatitis
Küçük Resim Yok
Tarih
2024
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Turkish Chemical Society
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
A de novo designed biomolecule called INASHD was utilized through computer-aided drug design techniques to specifically target ?2-spectrin, effectively suppressing and preventing NASH disease. Advanced computational software tools concerning the technologies of molecular docking and molecular dynamics (MD), were employed to showcase the drug's remarkable ability to efficiently suppress and control the ?-helical topology of ?2-spectrin. This protein is a vital component within the disease pathway. We successfully devised an effective design suppressing ?2-spectrin, exhibiting an inhibition score surpassing any other molecule documented in scientific literature. With robust support from validated computational software, this bioorganic structure holds significant value and can be applied for a patent due to its innovative design. It shows promising potential for delivering positive outcomes in various stages, including in vitro, in vivo, ex vivo, and human phase studies. © 2024, Turkish Chemical Society. All rights reserved.
Açıklama
Anahtar Kelimeler
İn Silico Drug Design, Molecular Docking, Molecular Dynamics, Nonalcoholic Steatohepatitis, ?2-Spectrin
Kaynak
Journal of the Turkish Chemical Society, Section A: Chemistry
WoS Q Değeri
Scopus Q Değeri
Q4
Cilt
11
Sayı
2
