A major threat to the world is the emergence of antibiotic resistant bacteria, which has rendered previously susceptible drugs useless and increased the rate of therapeutic failures. Shigella species, which are the causative organism of Shigellosis, were earlier susceptible to ampicillin, chloramphenicol, co-trimoxazole and nalidixic acid but now they have developed resistance against fluoroquinolones, cephalosporins and azithromycin. Many shigellosis outbreaks have been reported by resistant strains of Shigella species. This review attempts to provide a brief overview about the scenario of shigellosis and the emergence as well as ubiquitous nature of multidrug resistant (MDR) Shigella species.
Therapeutic failures against diseases due to resistant Gram-negative bacteria have become a major threat nowadays as confirmed by surveillance reports across the world. One of the methods of development of multidrug resistance in Escherichia coli and Pseudomonas aeruginosa is by means of RND efflux pumps. Inhibition of these pumps might help to combat the antibiotic resistance problem, for which the structure and regulation of the pumps have to be known. Moreover, judicious antibiotic use is needed to control the situation. This paper focuses on the issue of antibiotic resistance as well as the structure, regulation and inhibition of the efflux pumps present in Escherichia coli and Pseudomonas aeruginosa.
Graphic abstract
The Coronavirus disease 2019 (COVID-19), caused by the novel coronavirus, SARS-CoV-2, has recently emerged as a pandemic. Here, an attempt has been made through
in-silico
high throughput screening to explore the antiviral compounds from traditionally used plants for antiviral treatments in India namely, Tea, Neem and Turmeric, as potential inhibitors of two widely studied viral proteases, main protease (Mpro) and papain-like protease (PLpro) of the SARS-CoV-2. Molecular docking study using BIOVIA Discovery Studio 2018 revealed, (−)-epicatechin-3-O-gallate (ECG), a tea polyphenol has a binding affinity toward both the selected receptors, with the lowest CDocker energy − 46.22 kcal mol
−1
for SARS-CoV-2 Mpro and CDocker energy − 44.72 kcal mol
−1
for SARS-CoV-2 PLpro, respectively. The SARS-CoV-2 Mpro complexed with (−)-epicatechin-3-O-gallate, which had shown the best binding affinity was subjected to molecular dynamics simulations to validate its binding affinity, during which, the root-mean-square-deviation values of SARS-CoV-2 Mpro–Co-crystal ligand (N3) and SARS-CoV-2 Mpro- (−)-epicatechin-3-O-gallate systems were found to be more stable than SARS-CoV-2 Mpro system. Further, (−)-epicatechin-3-O-gallate was subjected to QSAR analysis which predicted IC
50
of 0.3281 nM against SARS-CoV-2 Mpro. Overall, (−)-epicatechin-3-O-gallate showed a potential binding affinity with SARS-CoV-2 Mpro and could be proposed as a potential natural compound for COVID-19 treatment.
Supplementary Information
The online version contains supplementary material available at 10.1007/s11030-021-10211-9.
In the present study, seven axenic fresh water microchlorophytes were isolated and identified as Tetradesmus dimorphus (NEIST BT-1), Chlorella sorokiniana (NEIST BT-2), Desmodesmus sp. (NEIST BT-10), Selenastrum sp. (NEIST BT-A6), Tetradesmus obliquus (NEIST BT-A1), Tetradesmus sp. (NEIST BT-A10), and Asterarcys sp. (NEIST BT-A15) based on morphological and molecular characterization. Their potential to be used as biodiesel feedstock was evaluated depending on their growth characteristics and lipid profiles. Among the seven isolates, NEIST BT-2 was found to be the most promising candidate owing to its high biomass yield (2.09 ± 0.037 g L −1) and lipid productivity (107.60 ± 10.175 mg L −1 day −1). The gas chromatography analysis confirmed the presence of significant amounts of palmitic acid, linoleic acid, linolenic acid, and oleic acid in the isolate which are some of the major constituents of any biodiesel. The predictive models showed that the biodiesel from this isolate has ideal fuel properties which comply with the ASTM D6751 and EN 14214 specifications. These findings demonstrate that NEIST BT-2 can be used as a prospective candidate for consideration of large-scale biodiesel production.
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