No abstract

Drug-resistant Escherichia coli (E. coli) has overburdened the healthcare facilities in recent years and is getting hard to combat, mandating search for novel therapeutics with a broad antibacterial spectrum and high chemotherapeutic index. The 24 kDa domain of DNA gyrase B that is involved in the ATPase activity has been reported to be a promising target for inhibitors. A PDB structure (1KZN) of the 24kD domain of gyrase B with the co-crystallized ligand clorobiocin was used for the docking studies to explore a library of 2924 FDA approved drugs from www.zinc.docking.org. FlexX docking module from Biosolve IT was used for receptor preparation and in silico docking experiments. Docking studies on the pocket created around the reference ligand clorobiocin revealed the best score with diminazene aceturate and it also demonstrated interactions with the crucial amino acids present within the pocket. Diminazene aceturate has been conventionally been used as an antiparasitic molecule in animals and it has also been demonstrated to exhibit repurposing potential in the treatment of disorders triggered due to overproduction of inflammatory cytokines, pulmonary hypertension, ischemia-induced cardiac pathophysiology, etc. among others. Findings from this study indicate the possibility of repurposing the age-old molecule diminazene aceturate into a DNA gyrase B antagonist to combat not just the drug-resistant E. coli but also other gram-negative ESKAPE pathogens. It may also aid in alleviating the inflammatory response induced in the body of the patients suffering from septicemia caused by a variety of Gram-negative bacterial pathogens.

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.