Insilico design, ADMET screening, MM-GBSA binding free energy of novel 1,3,4 oxadiazoles linked Schiff bases as PARP-1 inhibitors targeting breast cancer

Insilico design, ADMET screening, MM-GBSA binding free energy of novel 1,3,4 oxadiazoles linked Schiff bases as PARP-1 inhibitors targeting breast cancer

Abstract Background Poly(ADP-ribose) polymerases (PARPs), a nuclear protein belongs to a new class of drugs, which mainly target tumours with DNA repair defects. They are mainly involved in the multiple cellular processes in addition to the DNA repair process. They act directly on the base excision...

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Bibliographic Details
Main Authors: Narayan Shridhar Deshpande, Gowdru Srinivasa Mahendra, Natasha Naval Aggarwal, Banylla Felicity Dkhar Gatphoh, Bistuvalli Chandrashekharappa Revanasiddappa
Format: Article
Language:English
Published: SpringerOpen 2021-08-01
Series:Future Journal of Pharmaceutical Sciences
Subjects:
Cancer
PARP-1
Breast cancer
1,3,4 oxadiazoles
In-silico ADMET screening
MM-GBSA assay
Online Access:https://doi.org/10.1186/s43094-021-00321-4

Internet

https://doi.org/10.1186/s43094-021-00321-4

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