In-silico validation of Apocynin and NADPH Oxidase (NOX) enzyme for inhibiting ROS injuries

Ashok Kumar Tiwari; Vaibhav Gandhi; Shriya Agarwal; Vandana Tyagi; Vinayak Agarwal; Divya Jindal; R. Rachana; Manisha Singh

doi:10.1016/j.matpr.2021.06.361

In-silico validation of Apocynin and NADPH Oxidase (NOX) enzyme for inhibiting ROS injuries

Ashok Kumar Tiwari
, Vaibhav Gandhi
, Shriya Agarwal
, Vandana Tyagi
, Vinayak Agarwal
, Divya Jindal
, R. Rachana
, Manisha Singh

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

3 Scopus citations

Abstract

The present study was focused to analyse and evaluate potential targets of NADPH Oxidase (NOX) at varying sub-units and co-relating their interactions with apocynin to identify appropreiate mechanism of inhibition for NOX by applying specific facets of computational biology. Active site molecular docking analysis was carried for apocynin against various subunits of NOX and comparatively analysise the binding affinity profiles which were obtained when apocynin was docked with p47^phox complete subunit of NOX and all the other subunits.

Original language	English
Pages (from-to)	2375-2377
Number of pages	3
Journal	Materials Today: Proceedings
Volume	80
DOIs	https://doi.org/10.1016/j.matpr.2021.06.361
State	Published - Jan 2023
Externally published	Yes

Keywords

Apocynin
Molecular docking
NADPH Oxidase
Picrorrhiza kurroa
Reactive Oxygen Species (ROS)

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10.1016/j.matpr.2021.06.361

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title = "In-silico validation of Apocynin and NADPH Oxidase (NOX) enzyme for inhibiting ROS injuries",

abstract = "The present study was focused to analyse and evaluate potential targets of NADPH Oxidase (NOX) at varying sub-units and co-relating their interactions with apocynin to identify appropreiate mechanism of inhibition for NOX by applying specific facets of computational biology. Active site molecular docking analysis was carried for apocynin against various subunits of NOX and comparatively analysise the binding affinity profiles which were obtained when apocynin was docked with p47phox complete subunit of NOX and all the other subunits.",

keywords = "Apocynin, Molecular docking, NADPH Oxidase, Picrorrhiza kurroa, Reactive Oxygen Species (ROS)",

author = "\{Kumar Tiwari\}, Ashok and Vaibhav Gandhi and Shriya Agarwal and Vandana Tyagi and Vinayak Agarwal and Divya Jindal and R. Rachana and Manisha Singh",

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year = "2023",

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doi = "10.1016/j.matpr.2021.06.361",

language = "English",

volume = "80",

pages = "2375--2377",

journal = "Materials Today: Proceedings",

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T1 - In-silico validation of Apocynin and NADPH Oxidase (NOX) enzyme for inhibiting ROS injuries

AU - Kumar Tiwari, Ashok

AU - Gandhi, Vaibhav

AU - Agarwal, Shriya

AU - Tyagi, Vandana

AU - Agarwal, Vinayak

AU - Jindal, Divya

AU - Rachana, R.

AU - Singh, Manisha

PY - 2023/1

Y1 - 2023/1

N2 - The present study was focused to analyse and evaluate potential targets of NADPH Oxidase (NOX) at varying sub-units and co-relating their interactions with apocynin to identify appropreiate mechanism of inhibition for NOX by applying specific facets of computational biology. Active site molecular docking analysis was carried for apocynin against various subunits of NOX and comparatively analysise the binding affinity profiles which were obtained when apocynin was docked with p47phox complete subunit of NOX and all the other subunits.

AB - The present study was focused to analyse and evaluate potential targets of NADPH Oxidase (NOX) at varying sub-units and co-relating their interactions with apocynin to identify appropreiate mechanism of inhibition for NOX by applying specific facets of computational biology. Active site molecular docking analysis was carried for apocynin against various subunits of NOX and comparatively analysise the binding affinity profiles which were obtained when apocynin was docked with p47phox complete subunit of NOX and all the other subunits.

KW - Apocynin

KW - Molecular docking

KW - NADPH Oxidase

KW - Picrorrhiza kurroa

KW - Reactive Oxygen Species (ROS)

UR - https://www.scopus.com/pages/publications/85153581846

U2 - 10.1016/j.matpr.2021.06.361

DO - 10.1016/j.matpr.2021.06.361

M3 - Article

AN - SCOPUS:85153581846

SN - 2214-7853

VL - 80

SP - 2375

EP - 2377

JO - Materials Today: Proceedings

JF - Materials Today: Proceedings

ER -

In-silico validation of Apocynin and NADPH Oxidase (NOX) enzyme for inhibiting ROS injuries

Abstract

Keywords

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