Details der Publikation - In-Silico Repurposing of Anticancer Drug (5-FU) as an Antimicrobial Agent Against Methicillin-Resistant Staphylococcus aureus (MRSA)

In-Silico Repurposing of Anticancer Drug (5-FU) as an Antimicrobial Agent Against Methicillin-Resistant Staphylococcus aureus (MRSA)

Abstract The Centers for Disease Control and Prevention (CDC) reported earlier that more than 11,000 people died from a methicillin-resistant Staphylococcus aureus (MRSA)-related infection in the United States; this figure represents nearly half of all fatalities caused by antibiotic-resistant bacteria. Undoubtedly, novel antimicrobials drugs and novel approaches to developing them are essential; though the developing new antimicrobials are ever more complicated and are at present incapable to keep pace with the emergence of drug-resistant bacteria. The drug repurposing approach to finding a new use, slightly different to the extent of their native medical indication is in recent times gathering great attention and has achieved successes in many more of therapeutic areas. In the present study, we repurpose an anti-cancer drug (5-FU) as an antibacterial agent, for this purpose the 3D structure of thymidylate synthase of MRSA was generated by homology modelling and validated predicted structure using various in-silico approaches. Also, the binding pattern of 5-FU with respective target protein (thymidylate synthase) was studied using molecular docking and molecular dynamic simulation. Our study will provide good insight into the drug repurposing approach to meet the gap between the development and demand of new antimicrobial drugs..

Medienart:	E-Artikel

Erscheinungsjahr:	2020
Erschienen:	2020

Enthalten in:	Zur Gesamtaufnahme - volume:26
Enthalten in:	International journal of peptide research and therapeutics - 26(2020), 4 vom: 03. Jan., Seite 2137-2145

Sprache:	Englisch

Beteiligte Personen:	Sharma, Amey [VerfasserIn] Sharma, Avani [VerfasserIn] Rana, Apoorva [VerfasserIn] Niraj, Ravi Ranjan Kumar [VerfasserIn]

Links:	Volltext [lizenzpflichtig]

BKL:	35.76$jAminosäuren$jPeptide$jEiweiße$XBiochemie
Themen:	5-FU Drug repurposing In-silico MRSA

Anmerkungen:	© Springer Nature B.V. 2020

doi:	10.1007/s10989-019-10010-9

funding:
Förderinstitution / Projekttitel:

PPN (Katalog-ID):	OLC2120820643

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In-Silico Repurposing of Anticancer Drug (5-FU) as an Antimicrobial Agent Against Methicillin-Resistant Staphylococcus aureus (MRSA)

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