COMPUTATIONAL AND EXPERIMENTAL SCREENING STRATEGIES TOWARD NOVEL ANTHRAX TOXIN LETHAL FACTOR INHIBITORS

Patel, Ajay
2010-11-29
Thumbnail Image

View/Download File

Patel UROP poster Final.pdf (1.6 MB)

Persistent link to this item

https://hdl.handle.net/11299/97313
Statistics
View Statistics

Journal Title

Journal ISSN

Volume Title

Title

COMPUTATIONAL AND EXPERIMENTAL SCREENING STRATEGIES TOWARD NOVEL ANTHRAX TOXIN LETHAL FACTOR INHIBITORS

Alternative title

Authors

Published Date

2010-11-29

Publisher

Type

Presentation

Abstract

Here, 9 lead compounds, with at least micromolar-level inhibition of LF as determined by experimental High Throughput Screening (HTS), were tested against virtual databases using programs such as Volsurf (Tripos SYBYL) and QikProp (Schrodinger Maestro) to predict various pharmacokinetic properties such as Blood Brain Barrier (BBB) permeability, percent Human Intestinal Absorption (%HIA) and HERG K+ channel blockage (HERG).

Keywords

Description

Related to

Replaces

License

Collections

UMTC Undergraduate Research Presentations and Papers (UROP)

Series/Report Number

Funding information

Isbn identifier

Doi identifier

Previously Published Citation

Other identifiers

Suggested citation

Patel, Ajay. (2010). COMPUTATIONAL AND EXPERIMENTAL SCREENING STRATEGIES TOWARD NOVEL ANTHRAX TOXIN LETHAL FACTOR INHIBITORS. Retrieved from the University Digital Conservancy, https://hdl.handle.net/11299/97313.

Content distributed via the University Digital Conservancy may be subject to additional license and use restrictions applied by the depositor. By using these files, users agree to the Terms of Use. Materials in the UDC may contain content that is disturbing and/or harmful. For more information, please see our statement on harmful content in digital repositories.