Characterization and phytoconstituents of Petroselinum crispum (Mill) and Coriandrum sativum (Linn) and their impacts on inflammation—An in vitro analysis against human adenocarcinoma cells with molecular docking

2022 ◽  
Vol 146 ◽  
pp. 776-788
Author(s):  
Sangeetha Thangavelu ◽  
Balamuralikrishnan Balasubramanian ◽  
Sampathkumar Palanisamy ◽  
Velayuthaprabhu Shanmugam ◽  
Senthilkumar Natchiappan ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Coriandrum Sativum ◽  
Petroselinum Crispum ◽  
Adenocarcinoma Cells ◽  
Vitro Analysis ◽  
In Vitro Analysis

In silico Repurposing of Anticancer Drug (5-Fluorouracil) as an Antibacterial Agent against Klebsiella pneumoniae

2021 ◽  
Vol 18 ◽  
Author(s):  
Amey Sharma ◽  
Apoorva Rana ◽  
Lakshya Mangtani ◽  
Aakanksha Kalra ◽  
Ravi Ranjan Kumar Niraj
Keyword(s):  
Molecular Docking ◽  
Klebsiella Pneumoniae ◽  
Thymidylate Synthase ◽  
In Silico ◽  
Homology Modelling ◽  
Klebsiella Pneumonia ◽  
Drug Resistant ◽  
Vitro Analysis ◽  
In Vitro Analysis

Background: Infections caused by drug resistant microorganisms have been increasing worldwide thereby being one of the major causes of morbidity in the 21st century. Klebsiella pneumoniae is one such bacteria causing lung inflammation, lung injury and death. Emergence of hyper-virulent and drug resistant species such as ESBL and CRKP has made this microbe a serious and urgent threat. The pace of emergence of these species is outgrowing the development of novel drug and vaccine candidates thereby focusing on drug repurposing approach. Objective: 1. Homology Modelling of Thymidylate Synthase. 2. Verification of Modelled Structure. 3. Molecular Docking. 4. Molecular Dynamic Simulation of Docked Complex. 5. In vitro analysis of 5-FU activity against Klebsiella pneumonia. Method: The 3-D structure of Thymidylate Synthase was predicted using Swiss-Model server and validated by in silico approaches. - Determination protein-protein interactions using STRING database. - Molecular docking. - MD simulations of 5-FU with predicted structure of thymidylate synthase. - In vitro antimicrobial drug sensitivity assay at different concentrations. Result: Hydrogen bond was observed in Molecular Docking - Protein-ligand complex remains stable during simulation. - 5-FU shows antimicrobial activity against Klebsiella pneumonia during In vitro study. Conclusion: Both In silico as well as in vitro analysis have indicated that 5-FU can potentially be developed as an antimicrobial agent towards Klebsiella pneumonia

scholarly journals Effect of Polyphenols From Campomanesia adamantium on Platelet Aggregation and Inhibition of Cyclooxygenases: Molecular Docking and in Vitro Analysis

2018 ◽  
Vol 9 ◽  
Author(s):  
Caroline H. Lescano ◽  
Fernando Freitas de Lima ◽  
Camila B. Mendes-Silvério ◽  
Alberto F. O. Justo ◽  
Débora da Silva Baldivia ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Platelet Aggregation ◽  
Vitro Analysis ◽  
In Vitro Analysis

scholarly journals In-vitro analysis of selective nutraceuticals binding to human transcription factors through computer aided molecular docking predictions

2016 ◽  
Vol 12 (07) ◽  
pp. 354-358 ◽  
Author(s):  
Mohammad Teimouri ◽  
◽  
Muhammad Junaid ◽  
Shoaib Saleem ◽  
Abbas Khan ◽  
...  
Keyword(s):  
Transcription Factors ◽  
Molecular Docking ◽  
Computer Aided ◽  
Vitro Analysis ◽  
In Vitro Analysis

The native structure of the eukaryotic ribosome

1983 ◽  
Vol 41 ◽  
pp. 432-433
Author(s):  
R.A. Milligan ◽  
P.N.T. Unwin
Keyword(s):  
Ribosomal Proteins ◽  
Crystal Form ◽  
Native Structure ◽  
X Ray Diffraction ◽  
Eukaryotic Ribosome ◽  
Vitro Analysis ◽  
In Vitro Analysis ◽  
Resolution Structure ◽  
Stable Unit

A detailed understanding of the mechanism of protein synthesis will ultimately depend on knowledge of the native structure of the ribosome. Towards this end we have investigated the low resolution structure of the eukaryotic ribosome embedded in frozen buffer, making use of a system in which the ribosomes crystallize naturally.The ribosomes in the cells of early chicken embryos form crystalline arrays when the embryos are cooled at 4°C. We have developed methods to isolate the stable unit of these arrays, the ribosome tetramer, and have determined conditions for the growth of two-dimensional crystals in vitro, Analysis of the proteins in the crystals by 2-D gel electrophoresis demonstrates the presence of all ribosomal proteins normally found in polysomes. There are in addition, four proteins which may facilitate crystallization. The crystals are built from two oppositely facing P4 layers and the predominant crystal form, accounting for >80% of the crystals, has the tetragonal space group P4212, X-ray diffraction of crystal pellets demonstrates that crystalline order extends to ~ 60Å.

1163: Radial Dilation of Ureteral Balloons: A Comparative in-Vitro Analysis

2005 ◽  
Vol 173 (4S) ◽  
pp. 315-316
Author(s):  
Kari Hendlin ◽  
Brynn Lund ◽  
Manoj Monga
Keyword(s):  
Vitro Analysis ◽  
In Vitro Analysis
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