دورية أكاديمية

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.

التفاصيل البيبلوغرافية
العنوان: 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.
المؤلفون: Akter T; Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong 4331, Bangladesh., Bulbul MRH; Institute for Developing Science and Health Initiatives, ideSHi, Dhaka 1216, Bangladesh., Sama-Ae I; School of Allied Health Sciences, Walailak University, Nakhon Si Thammarat 80160, Thailand., Azadi MA; Department of Zoology, University of Chittagong, Chittagong 4331, Bangladesh., Nira KN; Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong 4331, Bangladesh., Al-Araby SQ; Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong 4331, Bangladesh., Deen JI; Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong 4331, Bangladesh., Rafi MKJ; Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong 4331, Bangladesh., Saha S; Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong 4331, Bangladesh., Ezaj MMA; Department of Genetic Engineering and Biotechnology, University of Chittagong, Chittagong 4331, Bangladesh., Rahman MA; Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong 4331, Bangladesh.; School of Allied Health Sciences, Walailak University, Nakhon Si Thammarat 80160, Thailand.
المصدر: Nutrients [Nutrients] 2023 Jul 31; Vol. 15 (15). Date of Electronic Publication: 2023 Jul 31.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: MDPI Publishing Country of Publication: Switzerland NLM ID: 101521595 Publication Model: Electronic Cited Medium: Internet ISSN: 2072-6643 (Electronic) Linking ISSN: 20726643 NLM ISO Abbreviation: Nutrients Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Basel, Switzerland : MDPI Publishing
مواضيع طبية MeSH: Tamarindus*/chemistry , Hypertension*/drug therapy, Rats ; Animals ; Antioxidants/pharmacology ; Sitosterols ; Antihypertensive Agents/pharmacology ; Plant Extracts/pharmacology ; Plant Extracts/chemistry ; Molecular Dynamics Simulation ; Molecular Docking Simulation ; Ligands ; Phylogeny ; Guanylate Cyclase
مستخلص: 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 NR3C1 , REN , PPARG , and CYP11B1 hub genes were consistently modulated by ϒ-sitosterol to reduce hypertension and related risk factors. The dynamic simulation study showed that the P-RMSD values of ϒ-sitosterol-guanylate cyclase were stable between 75.00 and 100.00 ns at the binding pocket. The findings demonstrate that ripened sour tamarind extract may be a prospective antihypertensive nutraceutical or supplement target affirmed through advanced preclinical and clinical studies.
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فهرسة مساهمة: Keywords: Tamarindus indica; antihypertensive; dynamic simulation; gamma-sitosterol; network pharmacology; troponin I
المشرفين على المادة: 0 (Antioxidants)
0 (Sitosterols)
0 (Antihypertensive Agents)
0 (Plant Extracts)
0 (Ligands)
EC 4.6.1.2 (Guanylate Cyclase)
تواريخ الأحداث: Date Created: 20230812 Date Completed: 20230814 Latest Revision: 20230814
رمز التحديث: 20230814
مُعرف محوري في PubMed: PMC10420995
DOI: 10.3390/nu15153402
PMID: 37571339
قاعدة البيانات: MEDLINE
الوصف
تدمد:2072-6643
DOI:10.3390/nu15153402