Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Article . 2020
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Article . 2020
License: CC BY
Data sources: ZENODO
versions View all 2 versions
addClaim

This Research product is the result of merged Research products in OpenAIRE.

You have already added 0 works in your ORCID record related to the merged Research product.

in silico molecular docking studies on some novel n substituted sulfonamide anthranilate hydroxamic acid derivatives for its cytotoxic potential against cancer markers

Authors: Sheshagiri R Dixit; N. Habeela Jainab; S.N. Sriharsha; Praveen P; Abinash Pandit;

in silico molecular docking studies on some novel n substituted sulfonamide anthranilate hydroxamic acid derivatives for its cytotoxic potential against cancer markers

Abstract

N-Substituted sulfonamide anthranilate hydroxamic acid derivatives have a better binding affinity towards the Matrix Metalloprotease (MMP) enzyme as per the literature. Based on that we have selected the Matrix Metalloprotease-1 (MMP-1) domain of MMP enzyme and performed the molecular docking studies using the SYBYL X 2.1 software. We have designed fifteen new chemical new entities for the docking studies and among that two chemical entities were found to have better binding affinities towards the MMP-1 target. By studying the total docking scores of all the new chemical entities we have concluded that the groups like benzyl group at Nth position, methoxy group at 4th position of phenyl sulfonamide nucleus, dimethylamine group at 3rd position of hydroxyl benzamide nucleus, etc. are responsible for better activities and binding affinities towards MMP-1 target. So, based on that we can proceed for the further synthesis of those molecules which has higher affinities towards the MMP domains. Some of the positions like 4th, 6th position in Hydroxy Benzamide Nucleus and 2nd, 3rd, 5th, 6th positions in Phenyl Sulfamido Nucleus are unsubstituted and still, we are in process of study in the future projects.

Related Organizations
Keywords

Matrix Metalloprotease, Surflex-Dock, Tripos Force, Histidine, Valine.

  • BIP!
    Impact byBIP!
    citations
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    0
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green