Screening and Identification of Microbial Derivatives for Inhibiting Legumain: An In silico Approach

Legumain an asparginyl endopeptidase expressed by both tumor cells and cells present in tumor microenvironment is an ideal therapeutic target for development of cancer therapies due to its correlation with high metastasis and invasion in various cancers. Microbial derivatives have demonstrated ma...

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Main Authors: Bandi Deepa Reddy, Ch. M. Kumari Chitturi
Format: Article
Language:English
Published: Journal of Pure and Applied Microbiology 2018-09-01
Series:Journal of Pure and Applied Microbiology
Subjects:
Online Access:https://microbiologyjournal.org/screening-and-identification-of-microbial-derivatives-for-inhibiting-legumain-an-in-silico-approach/
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author Bandi Deepa Reddy
Ch. M. Kumari Chitturi
author_facet Bandi Deepa Reddy
Ch. M. Kumari Chitturi
author_sort Bandi Deepa Reddy
collection DOAJ
description Legumain an asparginyl endopeptidase expressed by both tumor cells and cells present in tumor microenvironment is an ideal therapeutic target for development of cancer therapies due to its correlation with high metastasis and invasion in various cancers. Microbial derivatives have demonstrated many pharmacological properties such as antioxidant, anti-inflammatory, anti tumor and immunostimulatory activities.In the current study, 541 microbial derivatives were screened for their potential to inhibit legumain using Lib dock .Out of 541 compounds screened we have identified 55 microbial derivatives which showed binding to legumain by docking. Molecular interaction analysis of top five docked derivatives revealed the interaction of derivatives with the catalytic residues of legumain. These compounds need to be further evaluated in vitro and in vivo for Legumain inhibition and ultimately cancer regression.
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spelling doaj.art-9b376b5c0b7c45b0b5cec40a1c27c2572022-12-21T21:36:40ZengJournal of Pure and Applied MicrobiologyJournal of Pure and Applied Microbiology0973-75102581-690X2018-09-011231623163010.22207/JPAM.12.3.69Screening and Identification of Microbial Derivatives for Inhibiting Legumain: An In silico ApproachBandi Deepa Reddy0Ch. M. Kumari Chitturi1Department of Applied Microbiology, Sri Padmavati Mahila Visvavidyalayam (Women’s University), Tirupati, Andhra Pradesh, India. Department of Applied Microbiology, Sri Padmavati Mahila Visvavidyalayam (Women’s University), Tirupati, Andhra Pradesh, India. Legumain an asparginyl endopeptidase expressed by both tumor cells and cells present in tumor microenvironment is an ideal therapeutic target for development of cancer therapies due to its correlation with high metastasis and invasion in various cancers. Microbial derivatives have demonstrated many pharmacological properties such as antioxidant, anti-inflammatory, anti tumor and immunostimulatory activities.In the current study, 541 microbial derivatives were screened for their potential to inhibit legumain using Lib dock .Out of 541 compounds screened we have identified 55 microbial derivatives which showed binding to legumain by docking. Molecular interaction analysis of top five docked derivatives revealed the interaction of derivatives with the catalytic residues of legumain. These compounds need to be further evaluated in vitro and in vivo for Legumain inhibition and ultimately cancer regression.https://microbiologyjournal.org/screening-and-identification-of-microbial-derivatives-for-inhibiting-legumain-an-in-silico-approach/in silicolegumainlib dockmicrobial derivatives
spellingShingle Bandi Deepa Reddy
Ch. M. Kumari Chitturi
Screening and Identification of Microbial Derivatives for Inhibiting Legumain: An In silico Approach
Journal of Pure and Applied Microbiology
in silico
legumain
lib dock
microbial derivatives
title Screening and Identification of Microbial Derivatives for Inhibiting Legumain: An In silico Approach
title_full Screening and Identification of Microbial Derivatives for Inhibiting Legumain: An In silico Approach
title_fullStr Screening and Identification of Microbial Derivatives for Inhibiting Legumain: An In silico Approach
title_full_unstemmed Screening and Identification of Microbial Derivatives for Inhibiting Legumain: An In silico Approach
title_short Screening and Identification of Microbial Derivatives for Inhibiting Legumain: An In silico Approach
title_sort screening and identification of microbial derivatives for inhibiting legumain an in silico approach
topic in silico
legumain
lib dock
microbial derivatives
url https://microbiologyjournal.org/screening-and-identification-of-microbial-derivatives-for-inhibiting-legumain-an-in-silico-approach/
work_keys_str_mv AT bandideepareddy screeningandidentificationofmicrobialderivativesforinhibitinglegumainaninsilicoapproach
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