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Volume 10, Issue 8 (Suppl) J Proteomics Bioinform, an open access journal
ISSN: 0974-276X Structural Biology 2017
September 18-20, 2017
9th International Conference on
Structural Biology
September 18-20, 2017 Zurich, Switzerland
Aminu Mohammed et al., J Proteomics Bioinform 2017, 10:8(Suppl)
DOI: 10.4172/0974-276X-C1-0100
Hydrogen bond interaction with trypanosomal adenosine kinase; ornithine decarboxylase and triose
phosphate isomerase could not be involved in the antitrypanosomal activity of stigmasterol: An in
silico study
Aminu Mohammed and Mohammed Auwal Ibrahim
Ahmadu Bello University, Nigeria
Stigmasterol has previously been reported to possess antitrypanosomal activity using in vitro and in vivo models. However,
the mechanism of antitrypanosomal activity is yet to be elucidated. In the present study, molecular docking was used
to decipher the mode of interaction and binding affinity of stigmasterol to three known antitrypanosomal drug targets viz;
adenosine kinase, ornithine decarboxylase and triose phosphate isomerase. Stigmasterol was found to bind to the selected
trypanosomal enzymes with minimum binding energy of -4.2, -6.5 and -6.6 kcal/mol for adenosine kinase, ornithine
decarboxylase and triose phosphate isomerase respectively. However, hydrogen bond was not involved in the interaction of
stigmasterol with all the three enzymes but hydrophobic interaction seemed to play a vital role in the binding phenomenon
which was predicted to be non-competitive like type of inhibition. It was concluded that binding to the three selected enzymes,
especially triose phosphate isomerase, might be involved in the antitrypanosomal activity of stigmasterol but not mediated via
a hydrogen bond interaction.
Biography
Aminu Mohammed, an academic staff from Ahmadu Bello University, Zaria-Nigeria obtained his PhD Biochemistry from the famous University of KwaZulu-
Natal, South Africa in Biomedical Research Lab. His research interest focus on screening and isolation of potent ingredients/nutraceuticals with antidiabetic or
antitrypanosomal potentials from vast wealth of plants located in African region using modern spectroscopic techniques. In addition, we are interested in elucidating
the possible mode of actions of extracts, compounds or nutraceuticals derived from the plants using various in vitro and in vivo models. Presently, we focus on the
in silico computer simulation and improving bioavailability of spice-derived nutraceuticals as possible antidiabetic or antitrypanosomal agents.