Cover Image

Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion

Nanoemulsion is a delivery system used to enhance bioavailability of plant-based compounds across the stratum corneum. Elaeis guineensis leaves are rich source of polyphenolic antioxidants, viz. gallic acid and catechin. The optimal E. guineensis leaves extract water-in-oil nanoemulsion was stable a...

Full description

Saved in:
Bibliographic Details
Main Authors: Romes, Nissha Bharrathi, Abdul Wahab, Roswanira, Abdul Hamid, Mariani, Oyewusi, Habeebat Adekilekun, Nurul Huda, Nurul Huda, Kobun, Rovina
Format: Article
Language:English
Published: Nature Research 2021
Subjects:
QD Chemistry
Online Access:http://eprints.utm.my/id/eprint/95878/1/NisshaBharrathi2021_ThermodynamicStabilityInVitroPermeability.pdf
http://eprints.utm.my/id/eprint/95878/
http://dx.doi.org/10.1038/s41598-021-00409-0
Tags: Add Tag
No Tags, Be the first to tag this record!
id my.utm.95878
record_format eprints
spelling my.utm.958782022-06-22T04:12:02Z http://eprints.utm.my/id/eprint/95878/ Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion Romes, Nissha Bharrathi Abdul Wahab, Roswanira Abdul Hamid, Mariani Oyewusi, Habeebat Adekilekun Nurul Huda, Nurul Huda Kobun, Rovina QD Chemistry Nanoemulsion is a delivery system used to enhance bioavailability of plant-based compounds across the stratum corneum. Elaeis guineensis leaves are rich source of polyphenolic antioxidants, viz. gallic acid and catechin. The optimal E. guineensis leaves extract water-in-oil nanoemulsion was stable against coalescence, but it was under significant influence of Ostwald ripening over 90 days at 25 °C. The in-vitro permeability revealed a controlled and sustained release of the total phenolic compounds (TPC) of EgLE with a cumulative amount of 1935.0 ± 45.7 µgcm−2 after 8 h. The steady-state flux and permeation coefficient values were 241.9 ± 5.7 µgcm−2 h−1 and 1.15 ± 0.03 cm.h−1, respectively. The kinetic release mechanism for TPC of EgLE was best described by the Korsmeyer–Peppas model due to the highest linearity of R2 = 0.9961, indicating super case II transport mechanism. The in-silico molecular modelling predicted that the aquaporin-3 protein in the stratum corneum bonded preferably to catechin over gallic acid through hydrogen bonds due to the lowest binding energies of − 57.514 kcal/mol and − 8.553 kcal/mol, respectively. Thus, the in-silico study further verified that catechin could improve skin hydration. Therefore, the optimal nanoemulsion could be used topically as moisturizer to enhance skin hydration based on the in-silico prediction. Nature Research 2021-12 Article PeerReviewed application/pdf en http://eprints.utm.my/id/eprint/95878/1/NisshaBharrathi2021_ThermodynamicStabilityInVitroPermeability.pdf Romes, Nissha Bharrathi and Abdul Wahab, Roswanira and Abdul Hamid, Mariani and Oyewusi, Habeebat Adekilekun and Nurul Huda, Nurul Huda and Kobun, Rovina (2021) Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion. Scientific Reports, 11 (1). pp. 1-19. ISSN 2045-2322 http://dx.doi.org/10.1038/s41598-021-00409-0 DOI:10.1038/s41598-021-00409-0
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
language English
topic QD Chemistry
spellingShingle QD Chemistry
Romes, Nissha Bharrathi
Abdul Wahab, Roswanira
Abdul Hamid, Mariani
Oyewusi, Habeebat Adekilekun
Nurul Huda, Nurul Huda
Kobun, Rovina
Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion
description Nanoemulsion is a delivery system used to enhance bioavailability of plant-based compounds across the stratum corneum. Elaeis guineensis leaves are rich source of polyphenolic antioxidants, viz. gallic acid and catechin. The optimal E. guineensis leaves extract water-in-oil nanoemulsion was stable against coalescence, but it was under significant influence of Ostwald ripening over 90 days at 25 °C. The in-vitro permeability revealed a controlled and sustained release of the total phenolic compounds (TPC) of EgLE with a cumulative amount of 1935.0 ± 45.7 µgcm−2 after 8 h. The steady-state flux and permeation coefficient values were 241.9 ± 5.7 µgcm−2 h−1 and 1.15 ± 0.03 cm.h−1, respectively. The kinetic release mechanism for TPC of EgLE was best described by the Korsmeyer–Peppas model due to the highest linearity of R2 = 0.9961, indicating super case II transport mechanism. The in-silico molecular modelling predicted that the aquaporin-3 protein in the stratum corneum bonded preferably to catechin over gallic acid through hydrogen bonds due to the lowest binding energies of − 57.514 kcal/mol and − 8.553 kcal/mol, respectively. Thus, the in-silico study further verified that catechin could improve skin hydration. Therefore, the optimal nanoemulsion could be used topically as moisturizer to enhance skin hydration based on the in-silico prediction.
format Article
author Romes, Nissha Bharrathi
Abdul Wahab, Roswanira
Abdul Hamid, Mariani
Oyewusi, Habeebat Adekilekun
Nurul Huda, Nurul Huda
Kobun, Rovina
author_facet Romes, Nissha Bharrathi
Abdul Wahab, Roswanira
Abdul Hamid, Mariani
Oyewusi, Habeebat Adekilekun
Nurul Huda, Nurul Huda
Kobun, Rovina
author_sort Romes, Nissha Bharrathi
title Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion
title_short Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion
title_full Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion
title_fullStr Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion
title_full_unstemmed Thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion
title_sort thermodynamic stability, in-vitro permeability, and in-silico molecular modeling of the optimal elaeis guineensis leaves extract water-in-oil nanoemulsion
publisher Nature Research
publishDate 2021
url http://eprints.utm.my/id/eprint/95878/1/NisshaBharrathi2021_ThermodynamicStabilityInVitroPermeability.pdf
http://eprints.utm.my/id/eprint/95878/
http://dx.doi.org/10.1038/s41598-021-00409-0
_version_ 1736833519485714432
score 13.211869

Similar Items