alexa Abstract | Screening of plant-derived natural compounds as potent chemotherapeutic agents against breast cancer: An in silico approach

Journal of Chemical and Pharmaceutical Research
Open Access

OMICS International organises 3000+ Global Conferenceseries Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members.

Open Access Journals gaining more Readers and Citations

700 Journals and 15,000,000 Readers Each Journal is getting 25,000+ Readers

This Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)

Original Articles Open Access

Abstract

In present study, we aimed to investigate the chemotherapeutic potential of 27 dietary phytochemicals with the motive of developing in silico protocol against transcription factor- NF-κB; growth factor-EGF; antiapoptotic proteins-Bcl-2 and survivin; protein kinase-HER-2; cell cycle protein-cyclin D1 and metastasis proteins-5-LOX, COX2 and VEGF. 2-D structures of all phytochemicals were retrieved from PubChem Compound database and their subsequent conversion into 3-D structures was performed by using online software system CORINA. The X-ray crystallographic structure of proposed target proteins was extracted from RCSB Protein Data Bank. Molecular docking simulation study was carried out by using AutoDock Tools 4.0. The docking results revealed that quercetin (BE: -7.75 Kcal/mol; Ki: 385.26 nM) exhibited better binding interaction to NF-κB than its known inhibitors. Resveratrol (-7.11 Kcal/mole; 6.12 μM) was found to bind to EGF with tighter interaction than several reported EGF inhibitors. Quercetin (-7.86 Kcal/mole; 1.72 μM) and guggulsterone (-7.90 Kcal/mole; 1.62 μM) were best bound to Bcl-2 and Survivin respectively. Emodin (-7.60 Kcal/mole; 2.69 μM) was best docked with HER-2. Guggulsterone (-9.84 Kcal/mole; 60.76 nM) was further best bound to Cyclin D1. Moreover, dibenzoylmethane (- 8.05 Kcal/mole; 1.25 μM), guggulsterone (-11.15 Kcal/mole; 0.0067 μM) and Quercetin (-8.75 Kcal/mole; 0.3852 μM) showed very good binding interaction with 5-LOX, COX2 and NF-κB respectively. Our in silico findings have explored the chemopreventive potential of phytochemicals and further, being natural, they have minimal or null side effects on human body as compared to the synthesized anti-breast cancer agents and thus could be their promising alternatives.

To read the full article Peer-reviewed Article PDF image

Author(s): M Kalim A Khan M Haris Siddiqui Salman Akhtar Khurshid Ahmad Mohd Hassan Baig and Khwaja Osama

Keywords

Phytochemicals, Mammary cancer, Docking, Quercetin, Guggulsterone, chemotherapeutic agents, breast cancer

 
Peer Reviewed Journals
 
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals
International Conferences 2017-18
 
Meet Inspiring Speakers and Experts at our 3000+ Global Annual Meetings

Contact Us

Agri, Food, Aqua and Veterinary Science Journals

Dr. Krish

[email protected]

1-702-714-7001 Extn: 9040

Clinical and Biochemistry Journals

Datta A

[email protected]

1-702-714-7001Extn: 9037

Business & Management Journals

Ronald

[email protected]

1-702-714-7001Extn: 9042

Chemical Engineering and Chemistry Journals

Gabriel Shaw

[email protected]

1-702-714-7001 Extn: 9040

Earth & Environmental Sciences

Katie Wilson

[email protected]

1-702-714-7001Extn: 9042

Engineering Journals

James Franklin

[email protected]

1-702-714-7001Extn: 9042

General Science and Health care Journals

Andrea Jason

[email protected]

1-702-714-7001Extn: 9043

Genetics and Molecular Biology Journals

Anna Melissa

[email protected]

1-702-714-7001 Extn: 9006

Immunology & Microbiology Journals

David Gorantl

[email protected]

1-702-714-7001Extn: 9014

Informatics Journals

Stephanie Skinner

[email protected]

1-702-714-7001Extn: 9039

Material Sciences Journals

Rachle Green

[email protected]

1-702-714-7001Extn: 9039

Mathematics and Physics Journals

Jim Willison

[email protected]

1-702-714-7001 Extn: 9042

Medical Journals

Nimmi Anna

[email protected]

1-702-714-7001 Extn: 9038

Neuroscience & Psychology Journals

Nathan T

[email protected]

1-702-714-7001Extn: 9041

Pharmaceutical Sciences Journals

John Behannon

[email protected]

1-702-714-7001Extn: 9007

Social & Political Science Journals

Steve Harry

[email protected]

1-702-714-7001 Extn: 9042

 
© 2008-2017 OMICS International - Open Access Publisher. Best viewed in Mozilla Firefox | Google Chrome | Above IE 7.0 version
adwords