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-Reference-Cited by-全球学者库

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

Published:2023-07-31 Issue:15 Volume:15 Page:3402
ISSN:2072-6643
Container-title:Nutrients
language:en
Short-container-title:Nutrients

Author:

Akter Taslima¹^ORCID,Bulbul Md. Rakibul Hassan²^ORCID,Sama-ae Imran³^ORCID,Azadi M. A.⁴,Nira Kamrun Nahar¹,Al-Araby Salahuddin Quader¹^ORCID,Deen Jobaier Ibne¹^ORCID,Rafi Md. Khalid Juhani¹^ORCID,Saha Srabonti¹^ORCID,Ezaj Md. Muzahid Ahmed⁵^ORCID,Rahman Md. Atiar¹³^ORCID

Affiliation:

1. Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong 4331, Bangladesh

2. Institute for Developing Science and Health Initiatives, ideSHi, Dhaka 1216, Bangladesh

3. School of Allied Health Sciences, Walailak University, Nakhon Si Thammarat 80160, Thailand

4. Department of Zoology, University of Chittagong, Chittagong 4331, Bangladesh

5. Department of Genetic Engineering and Biotechnology, University of Chittagong, Chittagong 4331, Bangladesh

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 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.

Funder

Walailak University

Publisher

MDPI AG

Subject

Food Science,Nutrition and Dietetics

Link

https://www.mdpi.com/2072-6643/15/15/3402/pdf

Reference103 articles.

1. Cotran, K.C. (1999). Robbins Pathologic Basis of Disease, Elsevier. [5th ed.].

2. Normal liver function: A basis for understanding hepatic disease;Corless;Arch. Intern. Med.,1983

3. Rahman, S., Islam, S., and Haque, T. (2020). Association between serum liver enzymes and hypertension: A cross-sectional study in Bangladeshi adults. BMC Cardiovasc. Disord., 20.

4. ANG II activates effectors of mTOR via PI3-K signaling in human coronary smooth muscle cells;Hafizi;Am. J. Physiol. Heart Circ. Physiol.,2004

5. Protective role of flavonoids in cardiovascular disease;Nandave;Nat. Prod. Radiance,2005