Page 79 - ITPS-7-1

INNOSC Theranostics

and Pharmacological Sciences

ORIGINAL RESEARCH ARTICLE
In silico evaluation of heat shock proteins reveals

an interplay with polyamines as a survival
strategy for the Plasmodium falciparum

1
1
1
Godlo Sesethu , Maxam Nombalentle , Mthembu Yamkela , Mpumza Anelisa ,
1
1
2,3
4
Stanley Makumire , Noxolo Mkwetshana , Krishna K. Govender , and
5
Xolani H. Makhoba *
1 Department of Microbiology and Biochemistry, University of Fort Hare, Alice Campus, South Africa
2 Structural Biology Research Unit, Department of Integrative Biomedical Sciences, Institute of
Infectious Diseases and Molecular Medicine, University of Cape Town, Observatory 7925, South Africa
3 Protein and Structural Biology Research Unit, Faculty of Biochemistry and Molecular Medicine,
University of Oulu, Aapistie 7A, 90220 Oulu, Finland
4 Department of Chemical Sciences, University of Johannesburg, P. O. Box 17011, Doornfontein
Campus, 2028, Johannesburg, South Africa
5 Department of Biochemistry, Microbiology and Biotechnology, University of Limpopo, Turfloop
Campus, Sovenga, South Africa

Abstract
The current drugs available in the market are not effective due to growing numbers
of resistance to the causative agent of malaria. There are various Plasmodium
*Corresponding author:
Xolani H. Makhoba parasites, of which Plasmodium falciparum is the main cause of morbidity and
(Xolani.Makhoba@ul.ac.za) mortality reported worldwide. Therefore, there is an urgent need to come up with an
Citation: Sesethu G, Nombalentle M, innovative and effective treatment for this disease. Polyamines play a major role in
Yamkela M, et al., 2024, In silico the parasite’s well-being and growth, while heat shock proteins keep the proteomics
evaluation of heat shock proteins of the parasite in good shape. In this study, an in silico analysis of the interaction
reveals an interplay with polyamines
as a survival strategy for the between putrescine, spermidine, spermine, and heat shock proteins was carried out
Plasmodium falciparum. INNOSC to establish the binding site for drug discovery. Computational tools such as Bioedit,
Theranostics and Pharmacological PROCHECK, KNIME Hub, and Schrodinger were used. The results revealed interactions
Sciences, 7(1): 1228.
https://doi.org/10.36922/itps.1228 between polyamines and heat shock proteins with glutamine and aspartic acid
being common amino acids where interaction occurs between the chaperones and
Received: July 3, 2023 polyamines. Molecular dynamics showed a strong interaction between PfHsp70-1
Accepted: August 15, 2023 and putrescine, but the best interaction is observed for PfHsp70-1 and spermidine.
Published Online: September 13, Based on these results, a follow-up study will be conducted to establish the synthesis
2023 of drugs that will be used as targets for both polyamines and heat shock proteins to
Copyright: © 2023 Author(s). eradicate malaria.
This is an Open Access article
distributed under the terms of the
Creative Commons Attribution Keywords: Malaria; In silico; Putrescine; Spermidine; Spermine; Heat shock proteins; Multi-
License, permitting distribution, drug development
and reproduction in any medium,
provided the original work is
properly cited.
Publisher’s Note: AccScience 1. Introduction
Publishing remains neutral with
regard to jurisdictional claims in
published maps and institutional Malaria is a mosquito-borne disease, it is one of the most predominant parasitic diseases
affiliations. that threaten human life. Malaria affects about half of the world’s population. Most

Volume 7 Issue 1 (2024) 1 https://doi.org/10.36922/itps.1228