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(R)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from Cryptocarya densiflora Blume (Lauraceae) and molecular docking against SARS-CoV-2

Cryptocarya densiflora Blume (Lauraceae) is an evergreen tree widely distributed throughout the hills and mountain forests up to 1500 m in Malaysia and Indonesia. The plant has been reported to contain phenanthroindolizidine-type of alkaloids. In the present work, a new phenanthroindolizidine alkalo...

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Main Authors: Othman, Wan N. Nazneem Wan, Salim, Fatimah, Abdullah, Nor N., Abu Bakar, Syahrul, Awang, Khalijah, Jayasinghe, Lalith, Ismail, Nor H.
Format: Article
Published: SAGE Publications 2022
Subjects:
QD Chemistry
Online Access:http://eprints.um.edu.my/41569/
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spelling my.um.eprints.415692023-11-08T08:43:55Z http://eprints.um.edu.my/41569/ (R)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from Cryptocarya densiflora Blume (Lauraceae) and molecular docking against SARS-CoV-2 Othman, Wan N. Nazneem Wan Salim, Fatimah Abdullah, Nor N. Abu Bakar, Syahrul Awang, Khalijah Jayasinghe, Lalith Ismail, Nor H. QD Chemistry Cryptocarya densiflora Blume (Lauraceae) is an evergreen tree widely distributed throughout the hills and mountain forests up to 1500 m in Malaysia and Indonesia. The plant has been reported to contain phenanthroindolizidine-type of alkaloids. In the present work, a new phenanthroindolizidine alkaloid named (R)-13a alpha-densiindolizidine, was isolated from the dichloromethane (DCM) extract of the leaves. The structure of the alkaloid was established based on 1D and 2D nuclear magnetic resonance (NMR) and liquid chromatography mass spectrometry-ion trap-time of flight (LCMS-IT-TOF) analysis. (R)-13a alpha-densiindolizidine displayed binding interactions with crucial amino acid residues in the active sites of severe acute respiratory syndrome coronavirus 2 M-pro (SARS-CoV-2 M-pro) and RNA-dependent protease (RdRp) in silico, whilst fulfilling the absorption, distribution, metabolism, excretion, and toxicity (ADMET) criteria and Lipinsky's rule, thus revealing its potential as a lead compound. SAGE Publications 2022-08 Article PeerReviewed Othman, Wan N. Nazneem Wan and Salim, Fatimah and Abdullah, Nor N. and Abu Bakar, Syahrul and Awang, Khalijah and Jayasinghe, Lalith and Ismail, Nor H. (2022) (R)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from Cryptocarya densiflora Blume (Lauraceae) and molecular docking against SARS-CoV-2. Natural Product Communications, 17 (8). ISSN 1934-578X, DOI https://doi.org/10.1177/1934578X221114227 <https://doi.org/10.1177/1934578X221114227>. 10.1177/1934578X221114227
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic QD Chemistry
spellingShingle QD Chemistry
Othman, Wan N. Nazneem Wan
Salim, Fatimah
Abdullah, Nor N.
Abu Bakar, Syahrul
Awang, Khalijah
Jayasinghe, Lalith
Ismail, Nor H.
(R)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from Cryptocarya densiflora Blume (Lauraceae) and molecular docking against SARS-CoV-2
description Cryptocarya densiflora Blume (Lauraceae) is an evergreen tree widely distributed throughout the hills and mountain forests up to 1500 m in Malaysia and Indonesia. The plant has been reported to contain phenanthroindolizidine-type of alkaloids. In the present work, a new phenanthroindolizidine alkaloid named (R)-13a alpha-densiindolizidine, was isolated from the dichloromethane (DCM) extract of the leaves. The structure of the alkaloid was established based on 1D and 2D nuclear magnetic resonance (NMR) and liquid chromatography mass spectrometry-ion trap-time of flight (LCMS-IT-TOF) analysis. (R)-13a alpha-densiindolizidine displayed binding interactions with crucial amino acid residues in the active sites of severe acute respiratory syndrome coronavirus 2 M-pro (SARS-CoV-2 M-pro) and RNA-dependent protease (RdRp) in silico, whilst fulfilling the absorption, distribution, metabolism, excretion, and toxicity (ADMET) criteria and Lipinsky's rule, thus revealing its potential as a lead compound.
format Article
author Othman, Wan N. Nazneem Wan
Salim, Fatimah
Abdullah, Nor N.
Abu Bakar, Syahrul
Awang, Khalijah
Jayasinghe, Lalith
Ismail, Nor H.
author_facet Othman, Wan N. Nazneem Wan
Salim, Fatimah
Abdullah, Nor N.
Abu Bakar, Syahrul
Awang, Khalijah
Jayasinghe, Lalith
Ismail, Nor H.
author_sort Othman, Wan N. Nazneem Wan
title (R)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from Cryptocarya densiflora Blume (Lauraceae) and molecular docking against SARS-CoV-2
title_short (R)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from Cryptocarya densiflora Blume (Lauraceae) and molecular docking against SARS-CoV-2
title_full (R)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from Cryptocarya densiflora Blume (Lauraceae) and molecular docking against SARS-CoV-2
title_fullStr (R)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from Cryptocarya densiflora Blume (Lauraceae) and molecular docking against SARS-CoV-2
title_full_unstemmed (R)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from Cryptocarya densiflora Blume (Lauraceae) and molecular docking against SARS-CoV-2
title_sort (r)-13a alpha-densiindolizidine, a new phenanthroindolizidine alkaloid from cryptocarya densiflora blume (lauraceae) and molecular docking against sars-cov-2
publisher SAGE Publications
publishDate 2022
url http://eprints.um.edu.my/41569/
_version_ 1783876723747586048
score 13.211869

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