© 2017 Elsevier Ltd This paper describes computer-aided design of new anti-viral agents against Vaccinia virus (VACV) potentially acting as nucleic acid intercalators. Earlier obtained experimental data for DNA intercalation affinities and activities against Vesicular stomatitis virus (VSV) have been used to build, respectively, pharmacophore and QSAR models. These models were used for virtual screening of a database of 245 molecules generated around typical scaffolds of known DNA intercalators. This resulted in 12 hits which then were synthesized and tested for antiviral activity against VaV together with 43 compounds earlier studied against VSV. Two compounds displaying high antiviral activity against VaV and low cytotoxicity were selecte...
Emerging viral infections continue to pose a significant threat to global public health in recent ye...
An introduction to this work presented in this thesis involves an overview of nucleic acids and the ...
An introduction to this work presented in this thesis involves an overview of nucleic acids and the ...
© 2017 Elsevier Ltd This paper describes computer-aided design of new anti-viral agents against Vacc...
© 2017 Elsevier Ltd This paper describes computer-aided design of new anti-viral agents against Vacc...
This paper describes computer-aided design of new anti-viral agents against Vaccinia virus (VACV) po...
Computational chemistry has always played a key role in anti-viral drug development. The challenges ...
Nearly all DNA polymerases require processivity factors to ensure continuous incorporation of nucleo...
Virtual screening and cartography of chemical space approaches have been used for design of broad-sp...
Virtual screening and cartography of chemical space approaches have been used for design of broad-sp...
Virtual screening and cartography of chemical space approaches have been used for design of broad-sp...
In this thesis is presented a description of studies concerning the molecular modelling and biologic...
In this thesis is presented a description of studies concerning the molecular modelling and biologic...
In this thesis is presented a description of studies concerning the molecular modelling and biologic...
A ligand-based approach was applied to screen in silico a library of commercially available compound...
Emerging viral infections continue to pose a significant threat to global public health in recent ye...
An introduction to this work presented in this thesis involves an overview of nucleic acids and the ...
An introduction to this work presented in this thesis involves an overview of nucleic acids and the ...
© 2017 Elsevier Ltd This paper describes computer-aided design of new anti-viral agents against Vacc...
© 2017 Elsevier Ltd This paper describes computer-aided design of new anti-viral agents against Vacc...
This paper describes computer-aided design of new anti-viral agents against Vaccinia virus (VACV) po...
Computational chemistry has always played a key role in anti-viral drug development. The challenges ...
Nearly all DNA polymerases require processivity factors to ensure continuous incorporation of nucleo...
Virtual screening and cartography of chemical space approaches have been used for design of broad-sp...
Virtual screening and cartography of chemical space approaches have been used for design of broad-sp...
Virtual screening and cartography of chemical space approaches have been used for design of broad-sp...
In this thesis is presented a description of studies concerning the molecular modelling and biologic...
In this thesis is presented a description of studies concerning the molecular modelling and biologic...
In this thesis is presented a description of studies concerning the molecular modelling and biologic...
A ligand-based approach was applied to screen in silico a library of commercially available compound...
Emerging viral infections continue to pose a significant threat to global public health in recent ye...
An introduction to this work presented in this thesis involves an overview of nucleic acids and the ...
An introduction to this work presented in this thesis involves an overview of nucleic acids and the ...