Introduction of Novel Drug Targets Against Staphylococcus Aureus and Proposing Putative Inhibitors Against Adenine N1 (M1 A22)-Trna Methyltransferase (Trmk) Using Computer-Aided Drug Discovery

Introduction of Novel Drug Targets Against Staphylococcus Aureus and Proposing Putative Inhibitors Against Adenine N1 (M1 A22)-Trna Methyltransferase (Trmk) Using Computer-Aided Drug Discovery Publisher Pubmed

Beig M¹ ; Ebrahimi T² ; Goodarzi NN³ ; Fereshteh S¹ ; Habibi M⁴ ; Badmasti F^{1, 5}

Source: Current Pharmaceutical Design Published:2023

Abstract

Background: Nowadays, the emergence of methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant S. aureus (VRSA) strains has dramatically restricted the treatment options against this microorganism. Aim: In this study, we aimed to discover new drug targets and inhibitors against S. aureus. Methods: This study consists of two major sections. In the upstream evaluation, after a comprehensive core-proteome analysis, essential cytoplasmic proteins with no similarity to the human proteome were selected. Then the S. aureus metabolome-specific proteins were selected, and novel drug targets were identified using the DrugBank database. In the downstream analysis, a structure-based virtual screening approach was performed to reveal potential hit compounds against adenine N1 (m1A22)-tRNA methyltransferase (TrmK) using the StreptomeDB library and AutoDock Vina software. The compounds with a binding affinity >-9 kcal/mol were analyzed based on AD-MET properties. Finally, the hit compounds were selected based on Lipinski’s rule of five (RO5). Results: Three proteins, including glycine glycosyltransferase (FemA), TrmK, and heptaprenyl pyrophosphate synthase subunit A (HepS1), were selected as feasible and promising drug targets based on PDB file availability and their essential role in the survival of the S. aureus. Finally, seven hit compounds, including Nocardio-azine_A, Geninthiocin_D, Citreamicin_delta, Quinaldopeptin, Rachelmycin, Di-AFN_A1 and Naphthomy-cin_K were introduced against the binding cavity of TrmK, as a feasible drug target. Conclusion: The results of this study provided three feasible drug targets against S. aureus. In the following, seven hit compounds were introduced as potential inhibitors of TrmK, and Geninthiocin_D was identified as the most desirable agent. However, in vivo and in vitro investigations are needed to confirm the inhibitory effect of these agents on S. aureus. © 2023 Bentham Science Publishers.

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Style	Citing Format
MLA	Beig M, et al.. "Introduction of Novel Drug Targets Against Staphylococcus Aureus and Proposing Putative Inhibitors Against Adenine N1 (M1 A22)-Trna Methyltransferase (Trmk) Using Computer-Aided Drug Discovery." Current Pharmaceutical Design, vol. 29, no. 14, 2023, pp. 1135-1147.
APA	Beig M, Ebrahimi T, Goodarzi NN, Fereshteh S, Habibi M, Badmasti F (2023). Introduction of Novel Drug Targets Against Staphylococcus Aureus and Proposing Putative Inhibitors Against Adenine N1 (M1 A22)-Trna Methyltransferase (Trmk) Using Computer-Aided Drug Discovery. Current Pharmaceutical Design, 29(14), 1135-1147.
Chicago	Beig M, Ebrahimi T, Goodarzi NN, Fereshteh S, Habibi M, Badmasti F. "Introduction of Novel Drug Targets Against Staphylococcus Aureus and Proposing Putative Inhibitors Against Adenine N1 (M1 A22)-Trna Methyltransferase (Trmk) Using Computer-Aided Drug Discovery." Current Pharmaceutical Design 29, no. 14 (2023): 1135-1147.
Harvard	Beig M et al. (2023) 'Introduction of Novel Drug Targets Against Staphylococcus Aureus and Proposing Putative Inhibitors Against Adenine N1 (M1 A22)-Trna Methyltransferase (Trmk) Using Computer-Aided Drug Discovery', Current Pharmaceutical Design, 29(14), pp. 1135-1147.
Vancouver	Beig M, Ebrahimi T, Goodarzi NN, Fereshteh S, Habibi M, Badmasti F. Introduction of Novel Drug Targets Against Staphylococcus Aureus and Proposing Putative Inhibitors Against Adenine N1 (M1 A22)-Trna Methyltransferase (Trmk) Using Computer-Aided Drug Discovery. Current Pharmaceutical Design. 2023;29(14):1135-1147.
BibTex	@article{ author = {Beig M and Ebrahimi T and Goodarzi NN and Fereshteh S and Habibi M and Badmasti F}, title = {Introduction of Novel Drug Targets Against Staphylococcus Aureus and Proposing Putative Inhibitors Against Adenine N1 (M1 A22)-Trna Methyltransferase (Trmk) Using Computer-Aided Drug Discovery}, journal = {Current Pharmaceutical Design}, volume = {29}, number = {14}, pages = {1135-1147}, year = {2023} }
RIS	TY - JOUR AU - Beig M AU - Ebrahimi T AU - Goodarzi NN AU - Fereshteh S AU - Habibi M AU - Badmasti F TI - Introduction of Novel Drug Targets Against Staphylococcus Aureus and Proposing Putative Inhibitors Against Adenine N1 (M1 A22)-Trna Methyltransferase (Trmk) Using Computer-Aided Drug Discovery JO - Current Pharmaceutical Design VL - 29 IS - 14 SP - 1135 EP - 1147 PY - 2023 ER -

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