Exploration of the optimized parameters for bioactive prodigiosin mass production and its biomedical applications in vitro as well as in silico

Balasubramaniam, Boopathi; Alexpandi, Rajaiah; Darjily, Dharmaraj Rajaselvi

doi:10.1016/j.bcab.2019.101385

Cited by 27 publications

(5 citation statements)

References 40 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It implements a competent optimization algorithm for estimating the affinity of protein-ligand interactions and predicting the plausible binding modes of compounds (Goodsell et al, 1996 ). Then, the ligand-protein interactions were visualized by Maestro 10 (Schrödinger) (Balasubramaniam et al, 2019 ). In the present study, to compare the selected quinolines with already reported anti-SARS-CoV-2 drugs, lopinavir (Hall and Ji, 2020 ) and remdesivir triphosphate (Gordon et al, 2020 ) were selected as positive inhibitors of SARS-CoV-2 for in silico analysis in the present study.…”

Section: Methodsmentioning

confidence: 99%

Quinolines-Based SARS-CoV-2 3CLpro and RdRp Inhibitors and Spike-RBD-ACE2 Inhibitor for Drug-Repurposing Against COVID-19: An in silico Analysis

et al. 2020

Self Cite

View full text Add to dashboard Cite

The novel coronavirus SARS-CoV-2 disease "COVID-19" emerged in China and rapidly spread to other countries; due to its rapid worldwide spread, the WHO has declared this as a global emergency. As there is no specific treatment prescribed to treat COVID-19, the seeking of suitable therapeutics among existing drugs seems valuable. The structure availability of coronavirus macromolecules has encouraged the finding of conceivable anti-SARS-CoV-2 therapeutics through in silico analysis. The results reveal that quinoline,1,2,3,4-tetrahydro-1-[(2-phenylcyclopropyl)sulfonyl]-trans-(8CI) and saquinavir strongly interact with the active site (Cys-His catalytic dyad), thereby are predicted to hinder the activity of SARS-CoV-2 3CLpro. Out of 113 quinoline-drugs, elvitegravir and oxolinic acid are able to interact with the NTP entry-channel and thus interfere with the RNA-directed 5 ′-3 ′ polymerase activity of SARS-CoV-2 RdRp. The bioactivity-prediction results also validate the outcome of the docking study. Moreover, as SARS-CoV-2 Spike-glycoprotein uses human ACE2-receptor for viral entry, targeting the Spike-RBD-ACE2 has been viewed as a promising strategy to control the infection. The result shows rilapladib is the only quinoline that can interrupt the Spike-RBD-ACE2 complex. In conclusion, owing to their ability to target functional macromolecules of SARS-CoV-2, along with positive ADMET properties, quinoline,1,2,3,4-tetrahydro-1-[(2-phenylcyclopropyl)sulfonyl]-trans-(8CI), saquinavir, elvitegravir, oxolinic acid, and rilapladib are suggested for the treatment of COVID-19.

show abstract

Section: Methodsmentioning

confidence: 99%

Quinolines-Based SARS-CoV-2 3CLpro and RdRp Inhibitors and Spike-RBD-ACE2 Inhibitor for Drug-Repurposing Against COVID-19: An in silico Analysis

et al. 2020

Self Cite

View full text Add to dashboard Cite

show abstract

“…The homology-modeled protein of SARS-CoV-2 RdRp was obtained from Prof. Hua Li, HUST, China ( Wu et al, 2020 ). Energy minimization was performed using YASARA software and protein preparation was performed using the AutoDock Tools Version 1.5.6 ( Balasubramaniam et al, 2019 ). The natural ligands present in the protein structures were isolated by deleting atomic orchestrates of the PDB file.…”

Section: Methodsmentioning

confidence: 99%

Repurposing of Doxycycline to Hinder the Viral Replication of SARS-CoV-2: From in silico to in vitro Validation

et al. 2022

Self Cite

View full text Add to dashboard Cite

Since the rapid spread of coronavirus disease (COVID-19) became a global pandemic, healthcare ministries around the world have recommended specific control methods such as quarantining infected peoples, identifying infections, wearing mask, and practicing hand hygiene. Since no effective treatment for COVID-19 has yet been discovered, a variety of drugs approved by Food and Drug Administration (FDA) have been suggested for repurposing strategy. In the current study, we predicted that doxycycline could interact with the nucleotide triphosphate (NTP) entry channel, and is therefore expected to hinder the viral replication of SARS-CoV-2 RNA-dependent RNA-polymerase (RdRp) through docking analysis. Further, the molecular dynamics results revealed that the RdRp-Doxycycline complex was structurally relatively stable during the dynamic period (100 ns), and its complex maintained close contact with their active catalytic domains of SARS-CoV-2 RdRp. The molecular mechanics Poisson–Boltzmann surface area (MM-PBSA) calculation of binding free energy also showed that the doxycycline has worthy affinities with SARS-CoV-2 RdRp. As expected, doxycycline effectively inhibited the viral replication of IHU strains of SARS-CoV-2 (IHUMI-3 and IHUMI-6), identified from the hospitalized patients in IHU Méditerranée Infection (IHUMI), Marseille, France. Moreover, doxycycline inhibited the viral load in vitro at both on-entry and after viral entry of IHU variants of SARS-CoV-2. The results suggest that doxycycline exhibits strains-dependant antiviral activity against COVID-19. As a result, the current study concludes that doxycycline may be more effective in combination with other drugs for better COVID-19 treatment efficacy.

show abstract

“…The KBr pellets were then prepared separately with these cell pellets. The FT-IR (NicoletTM iS5, Thermo Scientific, U.S.A) spectra were recorded in the range, 400–4000 cm −1 , with a resolution of 4 cm −1 using OMNIC Software 71 .…”

Section: Methodsmentioning

confidence: 99%

Metal sensing-carbon dots loaded TiO2-nanocomposite for photocatalytic bacterial deactivation and application in aquaculture

Alexpandi

Gopi

Durgadevi

et al. 2020

Sci Rep

Self Cite

View full text Add to dashboard Cite

Nowadays, bioactive nanomaterials have been attracted the researcher’s enthusiasm in various fields. Herein, Diplocyclos palmatus leaf extract-derived green-fluorescence carbon dots (DP-CDs) were prepared using the hydrothermal method. Due to the strong fluorescence stability, the prepared DP-CDs were coated on filter-paper to make a fluorometric sensor-strip for Fe 3+ detection. After, a bandgap-narrowed DP-CDs/TiO 2 nanocomposite (DCTN) was prepared using the methanolic extract of D. palmatus. The prepared DCTN exhibited improved photocatalytic bacterial deactivation under sunlight irradiation. The DCTN-photocatalysis slaughtered V. harveyi cells by the production of reactive oxygen species, which prompting oxidative stress, damaging the cell membrane and cellular constituents. These results suggest the plausible mode of bactericidal action of DCTN-photocatalysis under sunlight. Further, the DCTN has shown potent anti-biofilm activity against V. harveyi , and thereby, DCTN extended the survival of V. harveyi -infected shrimps during the in vivo trial with Litopenaeus vannamei . Notably, this is the first report for the disinfection of V. harveyi -mediated acute-hepatopancreatic necrosis disease (AHPND) using nanocomposite. The reduced internal-colonization of V. harveyi on the hepatopancreas as well as the rescue action of the pathognomonic effect in the experimental animals demonstrated the anti-infection potential of DCTN against V. harveyi -mediated AHPND in aquaculture.

show abstract

Exploration of the optimized parameters for bioactive prodigiosin mass production and its biomedical applications in vitro as well as in silico

Cited by 27 publications

References 40 publications

Quinolines-Based SARS-CoV-2 3CLpro and RdRp Inhibitors and Spike-RBD-ACE2 Inhibitor for Drug-Repurposing Against COVID-19: An in silico Analysis

Quinolines-Based SARS-CoV-2 3CLpro and RdRp Inhibitors and Spike-RBD-ACE2 Inhibitor for Drug-Repurposing Against COVID-19: An in silico Analysis

Repurposing of Doxycycline to Hinder the Viral Replication of SARS-CoV-2: From in silico to in vitro Validation

Metal sensing-carbon dots loaded TiO2-nanocomposite for photocatalytic bacterial deactivation and application in aquaculture

Contact Info

Product

Resources

About