Advances in Pharmacology and Pharmacy Vol. 12(1), pp. 1 - 8
DOI: 10.13189/app.2024.120101
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Shridhar N Deshpande *, Elvita Valentine Gonsalves , Akshay Thomas , Aneesh Jeshan Suares , Charan Kumar K. S. , Jesmitha Queeny Dsouza , Mahendra G. S. , Revanasiddappa B. C.
Department of Pharmaceutical Chemistry, NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Nitte (Deemed to Be University), India

ABSTRACT

Introduction: Thiazolidinediones are widely used synthetic antidiabetic agents. These agents affect the pumping power of heart muscle due to the formation of edema, limiting their usage in patients with congestive heart failure. The current study was aimed to perform in silico docking study of bioactive phytoconstituents from Plumeria acutifolia against the target Peroxisome proliferator-activated gamma (PPAR-γ). Materials and Methods: The docking study was performed by using Schrodinger. The chemical constituents were retrieved from the PubChem database. The pharmacokinetic and toxicological parameters of each compound were predicted using Pre ADMET online server. The drug-likeness character of each compound was predicted using Molsoft. Results and Discussion: Among the five compounds, two compounds scored positive drug-likeness score. Tremuloidin and Plumieride showed the highest binding affinity with the target protein. All the compounds showed the binding affinity with the target protein suggesting that the compounds from Plumeria acutifolia can be utilized to target PPAR-γ in the management of diabetes. The study suggests supporting the current study by performing wet lab experiments. Conclusion: The present study reports the presence of some active biomolecules and also presents the probable PPAR-γ activity via computer simulations.

KEYWORDS
Diabetes Mellitus, Plumeria Acutifolia, PPAR-γ, Molecular Docking, Lipinski Rule of Five

Cite This Paper in IEEE or APA Citation Styles
(a). IEEE Format:
[1] Shridhar N Deshpande , Elvita Valentine Gonsalves , Akshay Thomas , Aneesh Jeshan Suares , Charan Kumar K. S. , Jesmitha Queeny Dsouza , Mahendra G. S. , Revanasiddappa B. C. , "Virtual Screening of Active Biomolecules from Plumeria Acutifolia against PPAR-γ," Advances in Pharmacology and Pharmacy, Vol. 12, No. 1, pp. 1 - 8, 2024. DOI: 10.13189/app.2024.120101.

(b). APA Format:
Shridhar N Deshpande , Elvita Valentine Gonsalves , Akshay Thomas , Aneesh Jeshan Suares , Charan Kumar K. S. , Jesmitha Queeny Dsouza , Mahendra G. S. , Revanasiddappa B. C. (2024). Virtual Screening of Active Biomolecules from Plumeria Acutifolia against PPAR-γ. Advances in Pharmacology and Pharmacy, 12(1), 1 - 8. DOI: 10.13189/app.2024.120101.