In silico Screening of Approved Drugs to Describe Novel E. coli DNA Gyrase A Antagonists

Rakhi Chandran,Vandana Gupta,Archana Ayyagari,Sanjay Gupta,Prerna Diwan

doi:10.37871/jbres1148

Abstract

The Green House Gas Emission (GHGs) from the carp culture ponds (n = 12) of West Godavari, Krishna, and Guntur districts of Andhra Pradesh and from the ponds (n = 4) of Moyna, East Medinipur district of West Bengal, India was assessed through carbon storage and carbon footprint analysis. The average inputs as Carbon Equivalent (CE) were 14407 ± 2651, and 9231 ± 1007 kg/ha in Andhra Pradesh, and West Bengal, respectively. The average carbon storage were 6216 ± 2291, and 5360 ± 1439 kg/ha, in Andhra Pradesh, and Moyna, West Bengal respectively. The emissions of CO2-e and CH4-e were 1.91 ± 0.42 kg CO2-e/kg fish and 0.122 ± 0.027 kg CH4-e/kg fish, respectively in Andhra Pradesh. The emissions of CO2-e and CH4-e were 0.006 to 2.07 (average 0.72) kg CO2-e /kg fish, and 0.0004 to 0.132 (average 0.046) kg CH4-e /kg fish production, respectively in Moyna, West Bengal.

Highlights

Escherichia coli, a common intestinal pathogen, is known to cause gastroenteritis and a variety of extra-intestinal diseases, such as Urinary Tract Infections (UTIs), meningitis among newborns, colisepticemia, and skin and soft tissue infections [1,2]
As the interface between the N-terminal of gyrase A and C-terminal of gyrase B in a functional tetrameric DNA gyrase is the site involved in DNA cleavage and strand passage, 4CLK was considered to be a suitable structure for the docking studies
DNA Gyrase A (4CKL) docking pocket created (Figure 1) with the residues Gly40, Leu41, Lys42, Val44, His45, Arg47, Ile74, His78, Pro79, His80, Gly81, Asp82, Ser83, Ala84, Asp87, Thr88, Arg91, Met92, Phe96, Ser97, Leu98, Arg99, Leu102, Asn165, Asn169, Gly170, Ser171, Ser172, Gly173, Ile182, Tyr266, Gln267 include 16 of the crucial functional residues reported in the literature, their significance is summarized in table 1

Summary

Introduction

Escherichia coli, a common intestinal pathogen, is known to cause gastroenteritis and a variety of extra-intestinal diseases, such as Urinary Tract Infections (UTIs), meningitis among newborns, colisepticemia, and skin and soft tissue infections [1,2]. How to cite this article: Chandran R, Ayyagari A, Diwan P, Gupta S, Gupta V. In silico Screening of Approved Drugs to Describe Novel E. coli DNA Gyrase A Antagonists. J Biomed Res Environ Sci. 2020 Oct 26; 1(6): 233-240.

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Results

Conclusion