UPA Perpustakaan Universitas Jember

Molecular docking of selected phytoconstituents with signaling molecules of Ultraviolet‑B induced oxidative damage

MUZAFFER, Umar - Personal Name

The signaling molecules TNF-α, AP-1, and NF-κB act to integrate multiple stress signals into a series of diverse antiproliferative responses. Disruption of these processes can promote tumor progression and chemoresistance. Naturally occurring plant
derived compounds are considered as attractive candidates for cancer treatment and prevention. Phytoconstituents can control
and modify various biological activities by interacting with molecules involved in concerned signaling pathways. The aim of
this study was to fnd binding conformations between phytoconstituents and these signaling molecules responsible for multiple
stress signals of UVB induced photodamage. Induced ft docking was carried out for understanding the binding interactions of
pantothenic acid (vitamin B5); 3,4,5-trihydroxy benzoic acid (gallic acid); madecassic acid and hexadecanoic acid, ethyl ester
(palmitic acid) with TNF-α, AP-1, and NF-κB. Favorable binding conformations between these signaling molecules and the four
phytoconstituents were observed. A number of poses were generated to evaluate the binding conformations and common interacting residues between the ligands and proteins. Among them, the best ligands against TNF-α, AP-1, and NF-κB are reported. The
present investigation strongly suggests the probable use of these favonoids for the amelioration of UVB induced photodamage.

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E-Jurnal

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TNF-α
FLAVONOIDS
Oxidative damage
Docking
AP-1
NF-κB

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Umar Muzaffer...[et al.]

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Molecular docking of selected phytoconstituents with signaling molecules of Ultraviolet‑B induced oxidative damage

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NPP. 3509212D1000001

Molecular docking of selected phytoconstituents with signaling molecules of Ultraviolet‑B induced oxidative damage

MUZAFFER, Umar - Personal Name

Series Title

Call Number

Publisher

Collation

Language

ISBN/ISSN

Classification

Content Type

Media Type

Carrier Type

Edition

Subject(s)

Specific Detail Info

Statement of Responsibility

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