Hi @LatinXChem, I'm happy to share you our work "Phytochemical compounds identification as potential antiviral agents against dengue virus (DENV) targeting NS2B/NS3pro" #LatinXChem#LXChemBio#BIO089
Registrate al curso “Diez consejos para la publicación académica" que impartirán Erick Carreira @CarreiraGroup, (Editor en Jefe de @J_A_C_S) y Carlos Toro @cjtorom. El curso es en español!
Ultimos lugares!
https://t.co/MD7rNauZJS
Hola @LatinXChem, aquí esta mi trabajo desde Colombia ‘Mecanismo de repelencia contra Aedes aegypti, estudio computacional usando compuestos de origen natural’, #LatinXChem#XChemPhys#Comp133
@BarbosaBarretto @LatinXChem That's true, these compounds are rich in H-bond receptor and H-bond acceptor and also there have the best binding affinity due to the interactions with residues as D75 D81, H-51, R54. Structural modifications of these ligands could be greate for future in vivo trataments
Hi @LatinXChem, I'm happy to share you our work "Phytochemical compounds identification as potential antiviral agents against dengue virus (DENV) targeting NS2B/NS3pro" #LatinXChem#LXChemBio#BIO089
@BarbosaBarretto @LatinXChem Thank you so much! Until now, there are no experimental validation. The next step in our work is the molecular dynamics for this results and at the end the experimeltal validation (in vitro) of the best molecular dynamics results.
@FerCofas @LatinXChem NS2B-NS3pro is very dynamics, have two mainly conformations: close-active and open-inactive; so the time of the simulations will be relevant for de free energy.
@FerCofas @LatinXChem In molecular dynamic we have more conditions in our system, so i expect that this energy will change, I can't be sure if this change will be significant or not.
@NiyerFl, your poster submitted to #LatinXChem2021 has been accepted for presentation in the #LXChemBio category. After the deadline, we'll let you know the registration number and further details. See you on Sept 20!