In silico analysis and molecular docking studies of natural compounds of Withania somnifera against bovine NLRP9.

ABSTRACT:

Context

NLRP9 is a member of nucleotide-binding domain leucine-rich repeat-containing receptors and is found to be associated with many inflammatory diseases. In the current scenario, the identification of promising anti-inflammatory compounds from natural sources by repurposing approach is still relevant for the early prevention and effective management of the disease.

Methods

In the present study, we docked bioactives of Ashwagandha (Withanoside IV, Withanoside V, Withanolide A, Withanolide B, and Sitoindoside IX) and two control drugs against bovine NLRP9 protein. ADME/T analysis was used to determine the physiochemical properties of compounds and standard drugs. Molecular modeling was used to evaluate the correctness and quality of protein structures. In silico docking a

SUBMITTER: Ali A 

PROVIDER: S-EPMC10165590 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature