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Multitarget inhibitors for TryS, TryR and TryP in Leishmania donovani
An In-silico modeling and docking project
Vikas Gautam, Ganesh C. Sahoo, Pradeep Das
Livre broché | Anglais
60,95 €
+ 121 points
Description
The present study focuses on multi target inhibitors search based on proteins of Trypanothione pathway. For this we had modelled TryS, TryR and TryP proteins using Homology modelling and validated, based on which docking calculations were done. In the next step, active sites were explored to allow compounds to dock. Finally, we screened common hits amongst these protein targets. Top compounds were validated and their ADME profiles were also predicted. Some ligands shown good Glide Gscore in all three protein Targets. Interaction profiles can be further utilized to build computational novel structures. The further work needed to fit the hits molecules in assays to validate hits and refine or optimize the hit molecules.
Spécifications
Parties prenantes
- Auteur(s) :
- Editeur:
Contenu
- Nombre de pages :
- 108
- Langue:
- Anglais
Caractéristiques
- EAN:
- 9783659212840
- Date de parution :
- 10-08-12
- Format:
- Livre broché
- Dimensions :
- 152 mm x 229 mm
- Poids :
- 168 g
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