Article ; Online: Sour Tamarind Is More Antihypertensive than the Sweeter One, as Evidenced by In Vivo Biochemical Indexes, Ligand-Protein Interactions, Multitarget Interactions, and Molecular Dynamic Simulation.
2023 Volume 15, Issue 15
Abstract: This research investigated the antihypertensive effects of tamarind products and compared their potentials based on an animal model's data verified by molecular docking, multitarget interactions, and dynamic simulation assays. GC-MS-characterized ... ...
Abstract | This research investigated the antihypertensive effects of tamarind products and compared their potentials based on an animal model's data verified by molecular docking, multitarget interactions, and dynamic simulation assays. GC-MS-characterized tamarind products were administered to cholesterol-induced hypertensive albino rat models. The two-week-intervened animals were dissected to collect their serum and organs and respectively subjected to analyses of their hypertension-linked markers and tissue architectures. The lead biometabolites of tamarinds interacted with eight target receptors in the molecular docking and dynamic simulation studies and with multitarget in the network pharmacological analyses. The results show that the serum alanine aminotransferase (ALT), aspartate aminotransferase (AST), alkaline phosphatase (ALP), C-reactive protein (CRP), troponin I, and lipid profiles were maximally reinstated by the phenolic-enriched ripened sour tamarind extract compared to the sweet one, but the seed extracts had a smaller influence. Among the tamarind's biometabolites, ϒ-sitosterol was found to be the best ligand to interact with the guanylate cyclase receptor, displaying the best drug-likeliness with the highest binding energy, -9.3 Kcal. A multitargeted interaction-based degree algorithm and a phylogenetic tree of pathways showed that the |
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MeSH term(s) | Rats ; Animals ; Antioxidants/pharmacology ; Tamarindus/chemistry ; Sitosterols ; Antihypertensive Agents/pharmacology ; Plant Extracts/pharmacology ; Plant Extracts/chemistry ; Molecular Dynamics Simulation ; Molecular Docking Simulation ; Ligands ; Phylogeny ; Hypertension/drug therapy ; Guanylate Cyclase |
Chemical Substances | Antioxidants ; Sitosterols ; Antihypertensive Agents ; Plant Extracts ; Ligands ; Guanylate Cyclase (EC 4.6.1.2) |
Language | English |
Publishing date | 2023-07-31 |
Publishing country | Switzerland |
Document type | Journal Article |
ZDB-ID | 2518386-2 |
ISSN | 2072-6643 ; 2072-6643 |
ISSN (online) | 2072-6643 |
ISSN | 2072-6643 |
DOI | 10.3390/nu15153402 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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