scholarly journals Chemical-informatics approach to COVID-19 drug discovery: Exploration of important fragments and data mining based prediction of some hits from natural origins as main protease (Mpro) inhibitors

2021 ◽  
Vol 1224 ◽  
pp. 129026 ◽  
Author(s):  
Kalyan Ghosh ◽  
Sk. Abdul Amin ◽  
Shovanlal Gayen ◽  
Tarun Jha
Keyword(s):  
Data Mining ◽  
Drug Discovery ◽  
Main Protease ◽  
Chemical Informatics

scholarly journals Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2–P3 α-ketoamide derivative and Pentagastrin: An in-silico drug discovery approach

2020 ◽  
Vol 101 ◽  
pp. 107730 ◽  
Author(s):  
Ikechukwu Achilonu ◽  
Emmanuel Amarachi Iwuchukwu ◽  
Okechinyere Juliet Achilonu ◽  
Manuel Antonio Fernandes ◽  
Yasien Sayed
Keyword(s):  
Drug Discovery ◽  
In Silico ◽  
Main Protease

scholarly journals Molecular interaction analysis of Sulawesi propolis compounds with SARS-CoV-2 main protease as preliminary study for COVID-19 drug discovery

2021 ◽  
Vol 33 (1) ◽  
pp. 101234
Author(s):  
Muhamad Sahlan ◽  
Rafidha Irdiani ◽  
Darin Flamandita ◽  
Reza Aditama ◽  
Saleh Alfarraj ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Molecular Interaction ◽  
Interaction Analysis ◽  
Main Protease ◽  
Preliminary Study

Data mining and machine learning for lysosomal disease drug discovery and beyond

2019 ◽  
Vol 126 (2) ◽  
pp. S86 ◽  
Author(s):  
Jennifer J. Klein ◽  
Nancy C. Baker ◽  
Kimberley M. Zorn ◽  
Daniel P. Russo ◽  
Ana P. Rubio ◽  
...  
Keyword(s):  
Machine Learning ◽  
Data Mining ◽  
Drug Discovery ◽  
Lysosomal Disease

ChemSpaceShuttle: A tool for data mining in drug discovery by classification, projection, and 3D visualization

2003 ◽  
Vol 22 (5) ◽  
pp. 549-559 ◽  
Author(s):  
Alireza Givehchi ◽  
Axel Dietrich ◽  
Paul Wrede ◽  
Gisbert Schneider
Keyword(s):  
Data Mining ◽  
Drug Discovery ◽  
3D Visualization
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