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Isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from Grewia optiva

BACKGROUND: Traditionally, Grewia optiva is widely used for the treatment of many diseases like dysentery, fever, typhoid, diarrhea, eczema, smallpox, malaria and cough. METHODS: Shade-dried roots of G. optiva were extracted with methanol. Based on HPLC results, chloroform and ethyl acetate fraction...

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Autores principales: Ul Bari, Wasim, Zahoor, Mohammad, Zeb, Alam, Sahibzada, Muhammad Umar Khayam, Ullah, Riaz, Shahat, Abdelaaty A, Mahmood, Hafiz Majid, Khan, Irfan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Dove 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6717395/
https://www.ncbi.nlm.nih.gov/pubmed/31692531
http://dx.doi.org/10.2147/DDDT.S220510
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author Ul Bari, Wasim
Zahoor, Mohammad
Zeb, Alam
Sahibzada, Muhammad Umar Khayam
Ullah, Riaz
Shahat, Abdelaaty A
Mahmood, Hafiz Majid
Khan, Irfan
author_facet Ul Bari, Wasim
Zahoor, Mohammad
Zeb, Alam
Sahibzada, Muhammad Umar Khayam
Ullah, Riaz
Shahat, Abdelaaty A
Mahmood, Hafiz Majid
Khan, Irfan
author_sort Ul Bari, Wasim
collection PubMed
description BACKGROUND: Traditionally, Grewia optiva is widely used for the treatment of many diseases like dysentery, fever, typhoid, diarrhea, eczema, smallpox, malaria and cough. METHODS: Shade-dried roots of G. optiva were extracted with methanol. Based on HPLC results, chloroform and ethyl acetate fractions were subjected to silica column isolation and four compounds: glutaric acid (V), 3,5 dihydroxy phenyl acrylic acid (VI), (2,5 dihydroxy phenyl) 3',6',8'-trihydroxyl-4H chromen-4'-one (VII) and hexanedioic acid (VIII) were isolated in pure form. Ellman’s assay was used to determine the anticholinesterase potential of isolated compounds while their antioxidant potential was estimated by DPPH and ABTS scavenging assays. RESULTS: Amongst the isolated compounds, VI and VII exhibited excellent percent inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) (83.23±1.11, 82.72±2.20 and 82.11±2.11, 82.23±1.21, respectively, at 1000 µg/mL) with IC(50) of 76, 90, 78 and 92 µg/mL, respectively. Highest percent radicals scavenging against DPPH and ABTS (87.41±1.20 and 86.13±2.31) with IC(50) of 64 and 65 µg/mL, respectively, were observed for compound VII. Molecular docking studies also supported the binding of compound VI and VII with the target enzyme. The para-hydroxyl group of the phenolic moiety is formed hydrogen bonds with the active site water molecule and the side chain carbonyl and hydroxyl residues of enzyme. CONCLUSION: The isolated compounds inhibited the DPPH and ABTS-free radicals, and AChE and BChE enzymes. It was concluded that these compounds could be used in relieving the oxidative stress and pathological symptoms associated with excessive hydrolysis of acetyl and butyryl choline. The results of the study were supported by docking studies for compounds VI and VII.
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spelling pubmed-67173952019-11-05 Isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from Grewia optiva Ul Bari, Wasim Zahoor, Mohammad Zeb, Alam Sahibzada, Muhammad Umar Khayam Ullah, Riaz Shahat, Abdelaaty A Mahmood, Hafiz Majid Khan, Irfan Drug Des Devel Ther Original Research BACKGROUND: Traditionally, Grewia optiva is widely used for the treatment of many diseases like dysentery, fever, typhoid, diarrhea, eczema, smallpox, malaria and cough. METHODS: Shade-dried roots of G. optiva were extracted with methanol. Based on HPLC results, chloroform and ethyl acetate fractions were subjected to silica column isolation and four compounds: glutaric acid (V), 3,5 dihydroxy phenyl acrylic acid (VI), (2,5 dihydroxy phenyl) 3',6',8'-trihydroxyl-4H chromen-4'-one (VII) and hexanedioic acid (VIII) were isolated in pure form. Ellman’s assay was used to determine the anticholinesterase potential of isolated compounds while their antioxidant potential was estimated by DPPH and ABTS scavenging assays. RESULTS: Amongst the isolated compounds, VI and VII exhibited excellent percent inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) (83.23±1.11, 82.72±2.20 and 82.11±2.11, 82.23±1.21, respectively, at 1000 µg/mL) with IC(50) of 76, 90, 78 and 92 µg/mL, respectively. Highest percent radicals scavenging against DPPH and ABTS (87.41±1.20 and 86.13±2.31) with IC(50) of 64 and 65 µg/mL, respectively, were observed for compound VII. Molecular docking studies also supported the binding of compound VI and VII with the target enzyme. The para-hydroxyl group of the phenolic moiety is formed hydrogen bonds with the active site water molecule and the side chain carbonyl and hydroxyl residues of enzyme. CONCLUSION: The isolated compounds inhibited the DPPH and ABTS-free radicals, and AChE and BChE enzymes. It was concluded that these compounds could be used in relieving the oxidative stress and pathological symptoms associated with excessive hydrolysis of acetyl and butyryl choline. The results of the study were supported by docking studies for compounds VI and VII. Dove 2019-08-26 /pmc/articles/PMC6717395/ /pubmed/31692531 http://dx.doi.org/10.2147/DDDT.S220510 Text en © 2019 Ul Bari et al. http://creativecommons.org/licenses/by-nc/3.0/ This work is published and licensed by Dove Medical Press Limited. The full terms of this license are available at https://www.dovepress.com/terms.php and incorporate the Creative Commons Attribution – Non Commercial (unported, v3.0) License (http://creativecommons.org/licenses/by-nc/3.0/). By accessing the work you hereby accept the Terms. Non-commercial uses of the work are permitted without any further permission from Dove Medical Press Limited, provided the work is properly attributed. For permission for commercial use of this work, please see paragraphs 4.2 and 5 of our Terms (https://www.dovepress.com/terms.php).
spellingShingle Original Research
Ul Bari, Wasim
Zahoor, Mohammad
Zeb, Alam
Sahibzada, Muhammad Umar Khayam
Ullah, Riaz
Shahat, Abdelaaty A
Mahmood, Hafiz Majid
Khan, Irfan
Isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from Grewia optiva
title Isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from Grewia optiva
title_full Isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from Grewia optiva
title_fullStr Isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from Grewia optiva
title_full_unstemmed Isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from Grewia optiva
title_short Isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from Grewia optiva
title_sort isolation, pharmacological evaluation and molecular docking studies of bioactive compounds from grewia optiva
topic Original Research
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6717395/
https://www.ncbi.nlm.nih.gov/pubmed/31692531
http://dx.doi.org/10.2147/DDDT.S220510
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