| Autor: |
Pal S; Department of Pharmacology and Toxicology, National Institute of Pharmaceutical Education and Research (NIPER) Hajipur, Export Promotion Industrial Park (EPIP), Industrial area Hajipur, Bihar, India., Yellurkar ML; National Institute of Pharmaceutical Education and Research (NIPER), Chunilal Bhawan, Kolkata, India., Das P; National Institute of Pharmaceutical Education and Research (NIPER), Chunilal Bhawan, Kolkata, India., Sai Prasanna V; National Institute of Pharmaceutical Education and Research (NIPER), Chunilal Bhawan, Kolkata, India., Sarkar S; National Institute of Pharmaceutical Education and Research (NIPER), Chunilal Bhawan, Kolkata, India., Gajbhiye RL; Department of Pharmacology and Toxicology, National Institute of Pharmaceutical Education and Research (NIPER) Hajipur, Export Promotion Industrial Park (EPIP), Industrial area Hajipur, Bihar, India.; National Institute of Pharmaceutical Education and Research (NIPER), Chunilal Bhawan, Kolkata, India., Taraphdar AK; Department of Dravyaguna (Ayurved Pharmacology) Institute of Post Graduate Ayurvedic Education and Research, Kolkata, India., Velayutham R; Department of Pharmacology and Toxicology, National Institute of Pharmaceutical Education and Research (NIPER) Hajipur, Export Promotion Industrial Park (EPIP), Industrial area Hajipur, Bihar, India.; National Institute of Pharmaceutical Education and Research (NIPER), Chunilal Bhawan, Kolkata, India., Arumugam S; Department of Pharmacology and Toxicology, National Institute of Pharmaceutical Education and Research (NIPER) Hajipur, Export Promotion Industrial Park (EPIP), Industrial area Hajipur, Bihar, India.; National Institute of Pharmaceutical Education and Research (NIPER), Chunilal Bhawan, Kolkata, India. |
| Jazyk: |
angličtina |
| Zdroj: |
Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Feb 14, pp. 1-12. Date of Electronic Publication: 2024 Feb 14. |
| DOI: |
10.1080/07391102.2024.2314259 |
| Abstrakt: |
Picrorhiza kurroa Royle ex Benth. ( P. kurroa /PK/Kutki), a Himalayan herb belonging to the family Scrophulariaceae, is widely known for its hepatoprotective activity. Traditionally, it is found to be effective for upper respiratory tract disorders, kidney and liver problems, dyspepsia and chronic diarrhoea but the mechanism of action is unclear. In this study, the mode of action of P. kurroa for the treatment of diabetic nephropathy (DN) was investigated by network pharmacology, molecular docking and in vitro assays. Numerous databases have been screened and 33 P. kurroa bioactive compounds and 56 targets were identified. The compounds-targets network, targets-pathways network and compounds-targets-pathways network were constructed. The major bioactive compounds include picrorhizaoside D, scrophuloside A, vanillic acid, arvenin I, cinnamic acid, picein, 6-feruloyl catalpol, picroside V, pikuroside, apocynin, picroside I, picroside IV, androsin, cucurbitacin P, boschnaloside, kutkoside, cucurbitacin O, cucurbitacin K, picracin, etc. The potential protein targets identified in this study were MMP1, PRKCA, MMP7, IL18, IL1, TNF, ACE, ASC, CASP1, NLRP3, MAP, KURROA1, mitogen-activated protein kinase (MAPK)14 and MAPK8. In the Database for annotation visualization and integrated discovery (DAVID) pathways and Gene Ontology enrichment analysis, 14 major DN signalling pathways were identified, including MAPK, renin-angiotensin system (RAS), TNF, signal transducer and activator of transcription (JAK-STAT), TLR, vascular endothelial growth factor (VEGF), mTOR, Wnt, Ras, PPARs, NFB, NOD and phosphatidylinositol signalling pathways. A molecular docking study revealed that 32 bioactive compounds of P. kurroa interacted with 14 significant proteins/genes associated with DN. P. kurroa extract was proven to enhance the survival rate of HEK cells significantly. Protein expression analysis using Western blot demonstrated that P. kurroa extract significantly altered the expression of p47phox, p67phox, gp91phox, IL-1 and TGFβ-1. As a result of network pharmacology and docking work, new concepts for discovering bioactive compounds and effective modes of action could be developed. The potential effect of P. kurroa extract on DN disease was evident in the in-vitro studies aided by network pharmacology and molecular docking.Communicated by Ramaswamy H. Sarma. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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