Antibacterial and antifungal potential of marine Streptomyces sp. VITAK1 derived novel compound Pyrrolidinyl-Hexadeca-Heptaenone by in Silico docking analysis

2018 ◽  
Vol 11 (5) ◽  
pp. 1901
Author(s):  
Abirami Mani ◽  
Lokesh Ravi ◽  
Kannabiran Krishnan
Keyword(s):  
In Silico ◽  
Docking Analysis ◽  
Streptomyces Sp ◽  
In Silico Docking ◽  
Antifungal Potential ◽  
Marine Streptomyces ◽  
Antibacterial And Antifungal

scholarly journals In vitro toxicity and in silico docking analysis of two novel selective AH-receptor modulators

2018 ◽  
Vol 52 ◽  
pp. 178-188 ◽  
Author(s):  
Selma Mahiout ◽  
Sara Giani Tagliabue ◽  
Atefeh Nasri ◽  
Iyekhoetin Matthew Omoruyi ◽  
Lars Pettersson ◽  
...  
Keyword(s):  
In Silico ◽  
In Vitro Toxicity ◽  
Ah Receptor ◽  
Docking Analysis ◽  
In Silico Docking ◽  
Receptor Modulators

scholarly journals ANTI-PARKINSON POTENTIAL OF PERSEA AMERICANA SEED EXTRACTS THROUGH IN-SILICO DOCKING STUDY

2020 ◽  
pp. 152-155
Author(s):  
RACHAEL EVANGELINE ◽  
NIHAL AHMED
Keyword(s):  
Binding Energy ◽  
Hydrogen Bonds ◽  
In Silico ◽  
Water Extract ◽  
Docking Study ◽  
Persea Americana ◽  
Ligand Docking ◽  
Docking Analysis ◽  
In Silico Docking ◽  
Free Binding Energy

Objective: The aim of this study is to investigate the potential of Persea americana extracts for their Anti-Parkinson application through an in-silico docking study. Methods: PubChem and protein data bank databases were used to retrieve 3D structures. AutoDock4 was used to perform protein-ligand docking analysis. PyMOL was used to visualize the docking results. Results: Among the 30 ligand, the highest affinity was demonstrated by Hesperidin with a free binding energy of −6.8 kcal/mol and formation of five hydrogen bonds. The second highest significance was demonstrated by Biphenyl 4-(4-diethylaminobenzylidenamino) with a free binding energy of −5.9 kcal/mol with the formation of 2 hydrogen bonds. Among the three sets of phytochemicals from different solvent extracts, water extract demonstrated the highest potential as Anti-Parkinson active. Conclusion: P. americana extracts were analyzed for their Anti-Parkinson potential, and among the three extracts, the aqueous extract was predicted to have significant Anti-Parkinson potential, based on in silico docking analysis, due to the presence of active phytochemicals such as Hesperidin and others.

scholarly journals Cholesterol Interaction with the MAGUK Protein Family Member, MPP1, via CRAC and CRAC-Like Motifs: An In Silico Docking Analysis

PLoS ONE ◽  
2015 ◽  
Vol 10 (7) ◽  
pp. e0133141 ◽  
Author(s):  
Marcin A. Listowski ◽  
Jacek Leluk ◽  
Sebastian Kraszewski ◽  
Aleksander F. Sikorski
Keyword(s):  
Family Member ◽  
In Silico ◽  
Protein Family ◽  
Docking Analysis ◽  
In Silico Docking ◽  
Maguk Protein
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