scholarly journals In silico Analysis, Molecular Docking, Molecular Dynamic, Cloning, Expression and Purification of Chimeric Protein in Colorectal Cancer Treatment

2020 ◽  
Vol Volume 14 ◽  
pp. 309-329 ◽  
Author(s):  
Hassan Dana ◽  
Ghanbar Mahmoodi Chalbatani ◽  
Elahe Gharagouzloo ◽  
Seyed Rouhollah Miri ◽  
Fereidoon Memari ◽  
...  
Keyword(s):  
Colorectal Cancer ◽  
Molecular Docking ◽  
Cancer Treatment ◽  
Molecular Dynamic ◽  
In Silico ◽  
Chimeric Protein ◽  
In Silico Analysis ◽  
Expression And Purification ◽  
Silico Analysis ◽  
Colorectal Cancer Treatment

Serum Micrornas can Detect Colorectal Cancer; two Validation Study after In-Silico Analysis

2017 ◽  
Vol 152 (5) ◽  
pp. S1018
Author(s):  
Hiroyuki Takamaru ◽  
Yutaka Saito ◽  
Taku Sakamoto ◽  
Seiichiro Abe ◽  
Masayoshi Yamada ◽  
...  
Keyword(s):  
Colorectal Cancer ◽  
Validation Study ◽  
In Silico ◽  
In Silico Analysis ◽  
Silico Analysis ◽  
Serum Micrornas

Prediction Mechanism of Nevadensin as Antibacterial Agent against S. sanguinis: In vitro and In silico Studies

2021 ◽  
Vol 24 ◽  
Author(s):  
Aldina Amalia Nur Shadrina ◽  
Yetty Herdiyati ◽  
Ika Wiani ◽  
Mieke Hemiawati Satari ◽  
Dikdik Kurnia
Keyword(s):  
Antibacterial Activity ◽  
Molecular Docking ◽  
Dental Caries ◽  
Binding Affinity ◽  
In Silico ◽  
Antibacterial Agent ◽  
In Silico Analysis ◽  
Dna Gyrase ◽  
Silico Analysis

Background: Streptococcus sanguinis can contribute to tooth demineralization, which can lead to dental caries. Antibiotics used indefinitely to treat dental caries can lead to bacterial resistance. Discovering new antibacterial agents from natural products like Ocimum basilicum will help combat antibiotic resistance. In silico analysis (molecular docking) can help determine the lead compound by studying the molecular interaction between the drug and the target receptor (MurA enzyme and DNA gyrase). It is a potential candidate for antibacterial drug development. Objective: The research objective is to isolate the secondary metabolite of O. basilicum extract that has activity against S. sanguinis through in vitro and in silico analysis. Methods: n-Hexane extract of O. basilicum was purified by combining column chromatography with bioactivity-guided. The in vitro antibacterial activity against S. sanguinis was determined using the disc diffusion and microdilution method, while molecular docking simulation of nevadensin (1) with MurA enzyme and DNA gyrase was performed used PyRx 0.8 program. Results: Nevadensin from O. basilicum was successfully isolated and characterized by spectroscopic methods. This compound showed antibacterial activity against S. sanguinis with MIC and MBC values of 3750 and 15000 μg/mL, respectively. In silico analysis showed that the binding affinity to MurA was -8.5 Kcal/mol, and the binding affinity to DNA gyrase was -6.7 Kcal/mol. The binding of nevadensin-MurA is greater than fosfomycin-MurA. Otherwise, Nevadensin-DNA gyrase has a weaker binding affinity than fluoroquinolone-DNA gyrase and chlorhexidine-DNA gyrase. Conclusion: Nevadensin showed potential as a new natural antibacterial agent by inhibiting the MurA enzyme rather than DNA gyrase.

Chimeric protein consisting of 3M2e and HSP as a universal influenza vaccine candidate: from in silico analysis to preliminary evaluation

Virus Genes ◽  
2018 ◽  
Vol 55 (1) ◽  
pp. 22-32 ◽  
Author(s):  
Behrokh Farahmand ◽  
Najmeh Taheri ◽  
Hadiseh Shokouhi ◽  
Hoorieh Soleimanjahi ◽  
Fatemeh Fotouhi
Keyword(s):  
Influenza Vaccine ◽  
In Silico ◽  
Vaccine Candidate ◽  
Chimeric Protein ◽  
In Silico Analysis ◽  
Preliminary Evaluation ◽  
Universal Influenza Vaccine ◽  
Silico Analysis

scholarly journals In Silico Analysis Guides Selection of BET Inhibitors for Triple-Negative Breast Cancer Treatment

2016 ◽  
Vol 15 (8) ◽  
pp. 1823-1833 ◽  
Author(s):  
Javier Pérez-Peña ◽  
Gemma Serrano-Heras ◽  
Juan Carlos Montero ◽  
Verónica Corrales-Sánchez ◽  
Atanasio Pandiella ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Cancer Treatment ◽  
Triple Negative Breast Cancer ◽  
In Silico ◽  
Triple Negative ◽  
In Silico Analysis ◽  
Breast Cancer Treatment ◽  
Bet Inhibitors ◽  
Silico Analysis ◽  
Selection Of
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