Crystal structure and antibacterial activity of scandenone (warangalone) from Erythrina plants

Grace Busayo Peleyeju; Talla Emmanuel; Charlotte Mungho Tata; Marthe Carine Djuidje Fotsing; Nicolette Niemann; Lydia Rhyman; Charmaine Arderne; Derek Tantoh Ndinteh; Ponnadurai Ramasami

doi:10.1016/j.molstruc.2019.04.070

Crystal structure and antibacterial activity of scandenone (warangalone) from Erythrina plants

Grace Busayo Peleyeju, Talla Emmanuel, Charlotte Mungho Tata, Marthe Carine Djuidje Fotsing, Nicolette Niemann, Lydia Rhyman, Charmaine Arderne, Derek Tantoh Ndinteh, Ponnadurai Ramasami

Chemical Sciences

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

Scandenone (warangalone) is a flavonoid found in Erythrina species and other plant genera. It has been connected with physiological processes in insects, human cells and bacteria. In this article, an overview of the biological importance of this compound is provided. A detailed analysis of its crystal structure and antibacterial properties were investigated. The experimental study was supplemented using density functional theory (DFT) and quantitative structure-activity relationship (QSAR) methods. Scandenone proved most potent against Mycobacterium smegmatis (mc2 155) with MIC below 1 μg/mL. In general, it was more potent against Gram-positive bacteria. Scandenone may be a potential tuberculosis medication.

Original language	English
Pages (from-to)	43-51
Number of pages	9
Journal	Journal of Molecular Structure
Volume	1191
DOIs	https://doi.org/10.1016/j.molstruc.2019.04.070
Publication status	Published - 5 Sept 2019

Keywords

Aggregation
Anti-bacterial
DFT
Erythrina
Mycobacterium
QSAR
Waragalone

ASJC Scopus subject areas

Analytical Chemistry
Spectroscopy
Organic Chemistry
Inorganic Chemistry

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1016/j.molstruc.2019.04.070

Cite this

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title = "Crystal structure and antibacterial activity of scandenone (warangalone) from Erythrina plants",

abstract = "Scandenone (warangalone) is a flavonoid found in Erythrina species and other plant genera. It has been connected with physiological processes in insects, human cells and bacteria. In this article, an overview of the biological importance of this compound is provided. A detailed analysis of its crystal structure and antibacterial properties were investigated. The experimental study was supplemented using density functional theory (DFT) and quantitative structure-activity relationship (QSAR) methods. Scandenone proved most potent against Mycobacterium smegmatis (mc2 155) with MIC below 1 μg/mL. In general, it was more potent against Gram-positive bacteria. Scandenone may be a potential tuberculosis medication.",

keywords = "Aggregation, Anti-bacterial, DFT, Erythrina, Mycobacterium, QSAR, Waragalone",

author = "Peleyeju, {Grace Busayo} and Talla Emmanuel and Tata, {Charlotte Mungho} and {Djuidje Fotsing}, {Marthe Carine} and Nicolette Niemann and Lydia Rhyman and Charmaine Arderne and Ndinteh, {Derek Tantoh} and Ponnadurai Ramasami",

note = "Publisher Copyright: {\textcopyright} 2019",

year = "2019",

month = sep,

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doi = "10.1016/j.molstruc.2019.04.070",

language = "English",

volume = "1191",

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journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Elsevier B.V.",

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T1 - Crystal structure and antibacterial activity of scandenone (warangalone) from Erythrina plants

AU - Peleyeju, Grace Busayo

AU - Emmanuel, Talla

AU - Tata, Charlotte Mungho

AU - Djuidje Fotsing, Marthe Carine

AU - Niemann, Nicolette

AU - Rhyman, Lydia

AU - Arderne, Charmaine

AU - Ndinteh, Derek Tantoh

AU - Ramasami, Ponnadurai

PY - 2019/9/5

Y1 - 2019/9/5

N2 - Scandenone (warangalone) is a flavonoid found in Erythrina species and other plant genera. It has been connected with physiological processes in insects, human cells and bacteria. In this article, an overview of the biological importance of this compound is provided. A detailed analysis of its crystal structure and antibacterial properties were investigated. The experimental study was supplemented using density functional theory (DFT) and quantitative structure-activity relationship (QSAR) methods. Scandenone proved most potent against Mycobacterium smegmatis (mc2 155) with MIC below 1 μg/mL. In general, it was more potent against Gram-positive bacteria. Scandenone may be a potential tuberculosis medication.

AB - Scandenone (warangalone) is a flavonoid found in Erythrina species and other plant genera. It has been connected with physiological processes in insects, human cells and bacteria. In this article, an overview of the biological importance of this compound is provided. A detailed analysis of its crystal structure and antibacterial properties were investigated. The experimental study was supplemented using density functional theory (DFT) and quantitative structure-activity relationship (QSAR) methods. Scandenone proved most potent against Mycobacterium smegmatis (mc2 155) with MIC below 1 μg/mL. In general, it was more potent against Gram-positive bacteria. Scandenone may be a potential tuberculosis medication.

KW - Aggregation

KW - Anti-bacterial

KW - DFT

KW - Erythrina

KW - Mycobacterium

KW - QSAR

KW - Waragalone

UR - http://www.scopus.com/inward/record.url?scp=85064995813&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2019.04.070

DO - 10.1016/j.molstruc.2019.04.070

M3 - Article

AN - SCOPUS:85064995813

SN - 0022-2860

VL - 1191

SP - 43

EP - 51

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

ER -

Crystal structure and antibacterial activity of scandenone (warangalone) from Erythrina plants

Abstract

Keywords

ASJC Scopus subject areas

UN SDGs

Access to Document

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