Journal: PLoS ONE

Article Title: Real-time 3T MRI-guided cardiovascular catheterization in a porcine model using a glass-fiber epoxy-based guidewire

doi: 10.1371/journal.pone.0229711

Figure Lengend Snippet: Imaging parameters.

Article Snippet: An interactive 2D RF-spoiled gradient echo (GRE) real-time MRI sequence was used to guide the cardiovascular catheterization procedures (BEAT_IRTTT, Siemens Healthineers, Erlangen, Germany).

Techniques: Imaging, Sequencing

Journal: In Silico Pharmacology

Article Title: Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

doi: 10.1007/s40203-023-00143-7

Figure Lengend Snippet: Schematic representation of the structure of SARS-CoV-2 Nsp14-Nsp10 complex and multiple sequence alignment of all CoVs. A Structure of SARS-CoV-2 Nsp14-Nsp10 complexes with their various domain. B Illustrative diagram of SARS-CoV-2 nsp14 (PDB ID: 7N0C) rendered using Protein Imager (Tomasello et al. ). C Structural alignment of SARS-CoV, SARS-CoV-2, and MERS-CoV showing conserved region using ESPript ( https://espript.ibcp.fr ) (Robert and Gouet )

Article Snippet: D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio.

Techniques: Sequencing

Journal: In Silico Pharmacology

Article Title: Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

doi: 10.1007/s40203-023-00143-7

Figure Lengend Snippet: Structural organization of SARS-CoV-2 nsp14 (PDB ID: 7N0C) and details of its active site residues. A Surface and cartoon representation of the structure of SARS-CoV-2 nsp14 has been shown in (light blue) color visualized in Pymol. B Representation of active site residues has been shown in sticks and highlighted in (yellow) visualized in Pymol

Article Snippet: D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio.

Techniques:

Journal: In Silico Pharmacology

Article Title: Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

doi: 10.1007/s40203-023-00143-7

Figure Lengend Snippet: Bioactivity prediction of the selected inhibitors against SARS-CoV-2 nsp14 by Molinspiration

Article Snippet: D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio.

Techniques: Protease Inhibitor

Journal: In Silico Pharmacology

Article Title: Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

doi: 10.1007/s40203-023-00143-7

Figure Lengend Snippet: Molecular docking studies (local docking) of SARS-CoV-2 Nsp14 (PDB ID: 7N0C) with top five phytochemicals using PyRx 0.8. A A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing the potential binding pocket of Procyanidin A2 produced in Pymol. B 2-D interaction of docking poses between Nsp14 and Procyanidin A2 represented using Biovia Discovery Studio. C A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing the potential binding pocket of Tomentin A produced in Pymol. D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio. E A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing potential binding pocket of Tanshinone IIB produced in Pymol. F 2-D interaction of docking poses between Nsp14 and Tanshinone IIB represented using Biovia Discovery Studio. G A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing potential binding pocket of Tomentin E produced in Pymol. H 2-D interaction of docking poses between Nsp14 and Tomentin E represented using Biovia Discovery Studio. I A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing potential binding pocket of Baicalein produced in Pymol. J 2-D interaction of docking poses between Nsp14 and Baicalein represented using Biovia Discovery Studio

Article Snippet: D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio.

Techniques: Binding Assay, Produced

Journal: In Silico Pharmacology

Article Title: Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

doi: 10.1007/s40203-023-00143-7

Figure Lengend Snippet: Bar chart representing the binding energy values (kcal/mol) for all the docked complexes. A Local docking of SARS-CoV-2 Nsp14 with all the herbal inhibitors. B Local docking of SARS-CoV-2 Nsp14 with the variants of top 5 high binding energy values (kcal/mol) of herbal inhibitors

Article Snippet: D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio.

Techniques: Binding Assay

Journal: In Silico Pharmacology

Article Title: Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

doi: 10.1007/s40203-023-00143-7

Figure Lengend Snippet: Molecular docking studies (local docking) of SARS-CoV-2 Nsp14 (PDB ID: 7N0C) with the isoform variants of the top 5 selected phytochemicals using PyRx 0.8. A A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing the potential binding pocket of Procyanidin D produced in Pymol. B 2-D interaction of docking poses between Nsp14 and Procyanidin D represented using Biovia Discovery Studio. C A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing potential binding pocket of Procyanidin A1 produced in Pymol. D 2-D interaction of docking poses between Nsp14 and Procyanidin A1 represented using Biovia Discovery Studio. E A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing potential binding pocket of Procyanidin C2 produced in Pymol. F 2-D interaction of docking poses between Nsp14 and Procyanidin C2 represented using Biovia Discovery Studio. G A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing potential binding pocket of Procyanidin C1 produced in Pymol. H 2-D interaction of docking poses between Nsp14 and Procyanidin C1 represented using Biovia Discovery Studio. I A surface electro-potential study using Adaptive Poisson-Boltzmann Solver (APBS) electrostatics representing potential binding pocket of Procyanidin B3 produced in Pymol. J 2-D interaction of docking poses between Nsp14 and Procyanidin B3 represented using Biovia Discovery Studio

Article Snippet: D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio.

Techniques: Binding Assay, Produced

Journal: In Silico Pharmacology

Article Title: Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

doi: 10.1007/s40203-023-00143-7

Figure Lengend Snippet: Molecular docking of certain FDA-approved drugs with the target protein using PyRx 0.8. A Local docking of SARS-CoV-2 nsp14 with certain FDA-approved drugs. B Global docking of SARS-CoV-2 nsp14 with certain FDA-approved drugs

Article Snippet: D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio.

Techniques:

Journal: In Silico Pharmacology

Article Title: Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

doi: 10.1007/s40203-023-00143-7

Figure Lengend Snippet: RMSF plot of SARS-CoV-2 nsp14 (7N0C) (cyan) and 7N0C bound to Tomentin A (purple) plotted in GraphPad Prism 8

Article Snippet: D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio.

Techniques:

Journal: In Silico Pharmacology

Article Title: Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

doi: 10.1007/s40203-023-00143-7

Figure Lengend Snippet: Structural alignment of SARS-CoV-2 nsp14 protein (PDB ID: 7N0C) in presence and absence of Tomentin A. A Structure of apo protein (7N0C) structure (light blue) aligned to final structure (deep blue) in complex with Tomentin A (yellow) having an RMSD = 2.227 Å. B Closer view of change in active site residues after performing molecular dynamics simulations

Article Snippet: D 2-D interaction of docking poses between Nsp14 and Tomentin A represented using Biovia Discovery Studio.

Techniques: