Gene expression, MMGBSA, molecular and induced-fit docking of Bambusa vulgaris phytocompounds in endoplasmic reticulum stress induced by streptozotocin.

BACKGROUND

Endoplasmic reticulum stress (ERS) has been linked to insulin resistance and diabetes mellitus. Bambusa vulgaris, a tropical bamboo species widely used in traditional medicine, is used to reduce oxidative stress and as an antidiabetic agent. This study investigates the effect of B. vulgaris on ERS-related gene expression and conducts a computational analysis of B. vulgaris phytocompounds.

METHODS

ERS was induced intraperitoneally by 60 mg/kg streptozotocin (STZ) dissolved in citrate buffer. Thirty experimental rats (n = 5) were divided into six groups: control, ERS control, metformin (100 mg/kg), and B. vulgaris aqueous extract (BV) orally administered groups (50, 100, and 200 mg/kg). Fasting blood glucose was monitored with a glucometer; RT-PCR was used for gene expression after 21 days of treatment. Molecular and induced-fit docking, free binding energy, and ADMET profiling of B. vulgaris compounds with PERK were evaluated using Schrödinger.

RESULTS

GRP78, CHOP, ATF4, and PERK mRNA expressions were markedly (p < 0.05) upregulated relative to the control upon induction with STZ after 72 h. BV (50 and 100 mg/kg) significantly downregulated these genes' expression compared with untreated ERS rats. Luteolin and chlorogenic acid had the lowest docking scores (-10.764 kcal/mol and - 10.725 kcal/mol), with strong induced-fit scores and free binding energies (-42.2 kcal/mol and - 39.33 kcal/mol, respectively). Both comply with Lipinski's rules of drug-likeness. Isovitexin has the lowest free binding energy - 50.91 kcal/mol.

CONCLUSION

This work suggests that BV and its compounds downregulate genes associated with ERS and promote normoglycemia.