Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against <i>Staphylococcus aureus</i> and <i>Candida albicans</i>

Ameji John Philip; Haruna Idris Muhammad; Raji Saheed Akinleye; Awor George Okorn; Ibraheem Wasiu Aderemi

doi:doi:10.11648/j.ijbbmb.20170205.11

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Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans

Ameji John Philip, Haruna Idris Muhammad, Raji Saheed Akinleye, Awor George Okorn, Ibraheem Wasiu Aderemi

Published in International Journal of Biochemistry, Biophysics & Molecular Biology (Volume 2, Issue 5)

Received: 10 September 2017 Accepted: 20 September 2017 Published: 17 October 2017

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Abstract

The emergence of multi-drug resistant strain of Staphylococcus aureus and Candida albicans has necessitated the exploration and development of newer structural moiety of Nickel-Schiff bases’ complexes as potential drug candidates against the aforementioned pathogens owing to their enormous inhibitory activity against these microbes. In this study, a Quantitative Structure Activity Relationship analysis was performed on some selected complexes by correlating their experimentally validated bioactivities against the pathogenic microbes with the OD, 1D, 2D and 3D descriptors of the molecules through linear regression resulting in the generation of three statistically significant models from which a hexa-parametric model was selected as the most robust model with R² = 0.909, R² adj = 0.890, Q² = 0.844, R²_ext = 0.609. The optimization model hinted the predominance of the size descriptors (WD. volume and nT6Ring), descriptors of hydrogen bond acceptor ability of the complexes (nHBAcc2 and nHBAcc3) and a descriptor of molecular polarity (Weta 3. polar) in influencing the observed anti-microbial activites of the complexes. The wealth of information in this study could provide a blueprint in the design of novel bioactive complexes that could curb the alarming trend of multi-drug resistant strain of Staphylococcus aureus and Candida albicans.

Published in	International Journal of Biochemistry, Biophysics & Molecular Biology (Volume 2, Issue 5)
DOI	10.11648/j.ijbbmb.20170205.11
Page(s)	36-46
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2017. Published by Science Publishing Group

Keywords

Staphylococcus aureus, Candida albicans, Descriptors, QSAR, Drug

References

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APA Style

Ameji John Philip, Haruna Idris Muhammad, Raji Saheed Akinleye, Awor George Okorn, Ibraheem Wasiu Aderemi. (2017). Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans. International Journal of Biochemistry, Biophysics & Molecular Biology, 2(5), 36-46. https://doi.org/10.11648/j.ijbbmb.20170205.11

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ACS Style

Ameji John Philip; Haruna Idris Muhammad; Raji Saheed Akinleye; Awor George Okorn; Ibraheem Wasiu Aderemi. Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans. Int. J. Biochem. Biophys. Mol. Biol. 2017, 2(5), 36-46. doi: 10.11648/j.ijbbmb.20170205.11

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AMA Style

Ameji John Philip, Haruna Idris Muhammad, Raji Saheed Akinleye, Awor George Okorn, Ibraheem Wasiu Aderemi. Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans. Int J Biochem Biophys Mol Biol. 2017;2(5):36-46. doi: 10.11648/j.ijbbmb.20170205.11

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@article{10.11648/j.ijbbmb.20170205.11,
  author = {Ameji John Philip and Haruna Idris Muhammad and Raji Saheed Akinleye and Awor George Okorn and Ibraheem Wasiu Aderemi},
  title = {Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans},
  journal = {International Journal of Biochemistry, Biophysics & Molecular Biology},
  volume = {2},
  number = {5},
  pages = {36-46},
  doi = {10.11648/j.ijbbmb.20170205.11},
  url = {https://doi.org/10.11648/j.ijbbmb.20170205.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijbbmb.20170205.11},
  abstract = {The emergence of multi-drug resistant strain of Staphylococcus aureus and Candida albicans has necessitated the exploration and development of newer structural moiety of Nickel-Schiff bases’ complexes as potential drug candidates against the aforementioned pathogens owing to their enormous inhibitory activity against these microbes. In this study, a Quantitative Structure Activity Relationship analysis was performed on some selected complexes by correlating their experimentally validated bioactivities against the pathogenic microbes with the OD, 1D, 2D and 3D descriptors of the molecules through linear regression resulting in the generation of three statistically significant models from which a hexa-parametric model was selected as the most robust model with R2 = 0.909, R2 adj = 0.890, Q2 = 0.844, R2ext = 0.609. The optimization model hinted the predominance of the size descriptors (WD. volume and nT6Ring), descriptors of hydrogen bond acceptor ability of the complexes (nHBAcc2 and nHBAcc3) and a descriptor of molecular polarity (Weta 3. polar) in influencing the observed anti-microbial activites of the complexes. The wealth of information in this study could provide a blueprint in the design of novel bioactive complexes that could curb the alarming trend of multi-drug resistant strain of Staphylococcus aureus and Candida albicans.},
 year = {2017}
}

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TY  - JOUR
T1  - Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans
AU  - Ameji John Philip
AU  - Haruna Idris Muhammad
AU  - Raji Saheed Akinleye
AU  - Awor George Okorn
AU  - Ibraheem Wasiu Aderemi
Y1  - 2017/10/17
PY  - 2017
N1  - https://doi.org/10.11648/j.ijbbmb.20170205.11
DO  - 10.11648/j.ijbbmb.20170205.11
T2  - International Journal of Biochemistry, Biophysics & Molecular Biology
JF  - International Journal of Biochemistry, Biophysics & Molecular Biology
JO  - International Journal of Biochemistry, Biophysics & Molecular Biology
SP  - 36
EP  - 46
PB  - Science Publishing Group
SN  - 2575-5862
UR  - https://doi.org/10.11648/j.ijbbmb.20170205.11
AB  - The emergence of multi-drug resistant strain of Staphylococcus aureus and Candida albicans has necessitated the exploration and development of newer structural moiety of Nickel-Schiff bases’ complexes as potential drug candidates against the aforementioned pathogens owing to their enormous inhibitory activity against these microbes. In this study, a Quantitative Structure Activity Relationship analysis was performed on some selected complexes by correlating their experimentally validated bioactivities against the pathogenic microbes with the OD, 1D, 2D and 3D descriptors of the molecules through linear regression resulting in the generation of three statistically significant models from which a hexa-parametric model was selected as the most robust model with R2 = 0.909, R2 adj = 0.890, Q2 = 0.844, R2ext = 0.609. The optimization model hinted the predominance of the size descriptors (WD. volume and nT6Ring), descriptors of hydrogen bond acceptor ability of the complexes (nHBAcc2 and nHBAcc3) and a descriptor of molecular polarity (Weta 3. polar) in influencing the observed anti-microbial activites of the complexes. The wealth of information in this study could provide a blueprint in the design of novel bioactive complexes that could curb the alarming trend of multi-drug resistant strain of Staphylococcus aureus and Candida albicans.
VL  - 2
IS  - 5
ER  -

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Author Information

Ameji John Philip

Department of Chemistry, Ahmadu Bello University Zaria, Zaria, Nigeria
Haruna Idris Muhammad

Department of Chemistry, Audu Bako College of Agriculture Dambatta, Kano, Nigeria
Raji Saheed Akinleye

Chemical Engineering Department, Ladoke Akintola University of Technology, Ogbomosho, Nigeria
Awor George Okorn

Department of Chemistry, Ahmadu Bello University Zaria, Zaria, Nigeria
Ibraheem Wasiu Aderemi

Department of Chemistry, Ahmadu Bello University Zaria, Zaria, Nigeria

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APA Style

Ameji John Philip, Haruna Idris Muhammad, Raji Saheed Akinleye, Awor George Okorn, Ibraheem Wasiu Aderemi. (2017). Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans. International Journal of Biochemistry, Biophysics & Molecular Biology, 2(5), 36-46. https://doi.org/10.11648/j.ijbbmb.20170205.11

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ACS Style

Ameji John Philip; Haruna Idris Muhammad; Raji Saheed Akinleye; Awor George Okorn; Ibraheem Wasiu Aderemi. Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans. Int. J. Biochem. Biophys. Mol. Biol. 2017, 2(5), 36-46. doi: 10.11648/j.ijbbmb.20170205.11

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AMA Style

Ameji John Philip, Haruna Idris Muhammad, Raji Saheed Akinleye, Awor George Okorn, Ibraheem Wasiu Aderemi. Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans. Int J Biochem Biophys Mol Biol. 2017;2(5):36-46. doi: 10.11648/j.ijbbmb.20170205.11

Copy | Download

@article{10.11648/j.ijbbmb.20170205.11,
  author = {Ameji John Philip and Haruna Idris Muhammad and Raji Saheed Akinleye and Awor George Okorn and Ibraheem Wasiu Aderemi},
  title = {Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans},
  journal = {International Journal of Biochemistry, Biophysics & Molecular Biology},
  volume = {2},
  number = {5},
  pages = {36-46},
  doi = {10.11648/j.ijbbmb.20170205.11},
  url = {https://doi.org/10.11648/j.ijbbmb.20170205.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijbbmb.20170205.11},
  abstract = {The emergence of multi-drug resistant strain of Staphylococcus aureus and Candida albicans has necessitated the exploration and development of newer structural moiety of Nickel-Schiff bases’ complexes as potential drug candidates against the aforementioned pathogens owing to their enormous inhibitory activity against these microbes. In this study, a Quantitative Structure Activity Relationship analysis was performed on some selected complexes by correlating their experimentally validated bioactivities against the pathogenic microbes with the OD, 1D, 2D and 3D descriptors of the molecules through linear regression resulting in the generation of three statistically significant models from which a hexa-parametric model was selected as the most robust model with R2 = 0.909, R2 adj = 0.890, Q2 = 0.844, R2ext = 0.609. The optimization model hinted the predominance of the size descriptors (WD. volume and nT6Ring), descriptors of hydrogen bond acceptor ability of the complexes (nHBAcc2 and nHBAcc3) and a descriptor of molecular polarity (Weta 3. polar) in influencing the observed anti-microbial activites of the complexes. The wealth of information in this study could provide a blueprint in the design of novel bioactive complexes that could curb the alarming trend of multi-drug resistant strain of Staphylococcus aureus and Candida albicans.},
 year = {2017}
}

Copy | Download

TY  - JOUR
T1  - Insilico Predictive Model for Anti-Microbial Properties of Ni (II)-Schiff Bases’ Complexes Against Staphylococcus aureus and Candida albicans
AU  - Ameji John Philip
AU  - Haruna Idris Muhammad
AU  - Raji Saheed Akinleye
AU  - Awor George Okorn
AU  - Ibraheem Wasiu Aderemi
Y1  - 2017/10/17
PY  - 2017
N1  - https://doi.org/10.11648/j.ijbbmb.20170205.11
DO  - 10.11648/j.ijbbmb.20170205.11
T2  - International Journal of Biochemistry, Biophysics & Molecular Biology
JF  - International Journal of Biochemistry, Biophysics & Molecular Biology
JO  - International Journal of Biochemistry, Biophysics & Molecular Biology
SP  - 36
EP  - 46
PB  - Science Publishing Group
SN  - 2575-5862
UR  - https://doi.org/10.11648/j.ijbbmb.20170205.11
AB  - The emergence of multi-drug resistant strain of Staphylococcus aureus and Candida albicans has necessitated the exploration and development of newer structural moiety of Nickel-Schiff bases’ complexes as potential drug candidates against the aforementioned pathogens owing to their enormous inhibitory activity against these microbes. In this study, a Quantitative Structure Activity Relationship analysis was performed on some selected complexes by correlating their experimentally validated bioactivities against the pathogenic microbes with the OD, 1D, 2D and 3D descriptors of the molecules through linear regression resulting in the generation of three statistically significant models from which a hexa-parametric model was selected as the most robust model with R2 = 0.909, R2 adj = 0.890, Q2 = 0.844, R2ext = 0.609. The optimization model hinted the predominance of the size descriptors (WD. volume and nT6Ring), descriptors of hydrogen bond acceptor ability of the complexes (nHBAcc2 and nHBAcc3) and a descriptor of molecular polarity (Weta 3. polar) in influencing the observed anti-microbial activites of the complexes. The wealth of information in this study could provide a blueprint in the design of novel bioactive complexes that could curb the alarming trend of multi-drug resistant strain of Staphylococcus aureus and Candida albicans.
VL  - 2
IS  - 5
ER  -

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