Exploring Nature’s Treasure to Inhibit β-Barrel Assembly Machinery of Antibiotic Resistant Bacteria: An In-Silico Approach

(E-pub Ahead of Print)

Author(s): Shalja Verma, Anand Kumar Pandey*

Journal Name: Letters in Drug Design & Discovery

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Background: Development of antibiotic resistance in bacteria is a matter of global concern due to the exceptionally high morbidity and mortality rates. Outer membrane of most Gram-negative bacteria act as a highly efficient barrier and blocks the entry of the majority of antibiotics, making them ineffective. Bam complex, β-barrel assembly machinery complex, contains five subunits (BamA,B,C,D,E) which plays a vital role in folding and insertion of essential outer membrane proteins into membrane thus maintains outer membrane integrity. Bam A and Bam D are essential subunits to fulfil this purpose. Thus, targeting this complex to treat antibiotic resistance can be an incredibly effective approach. Natural bacterial pigment like violacein, phytochemicals like withanone, semasin and several polyphenols have often been reported for their effective antibiotic, antioxidant, anti-inflammatory, antiviral and anti-carcinogenic properties.

Objective: Structural inhibition of Bam complex by natural compounds can provide safe and effective treatment to antibiotic resistance by targeting outer membrane integrity.

Methods: In-silico ADMET and Molecular docking analysis was performed with 10 natural compounds namely violacein, withanone, sesamin, resveratrol, naringenin, quercetin, epicatechin, gallic acid, ellagic acid and galangin to analyse their inhibitory potential against Bam complex. Results: Docking complexes of Violacein gave high binding energies of -10.385 and -9.46 Kcal/mol at C and D subunits interface, and at A subunits of the Bam complex respectively.

Conclusion: Henceforth, violacein can be an effective antibiotic against till date reported resistant Gram-negative bacteria by inhibiting the Bam complex of their outer membrane, therefore urgent need for exhaustive research in this concern is highly demanded.

Keywords: Antibiotic resistance, Gram negative bacteria, β-barrel assembly machinery (Bam) complex, Outer membrane proteins, Violacein

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Article Details

(E-pub Ahead of Print)
DOI: 10.2174/1570180818999201224121342
Price: $95