Disputation von Ya Chen am 10.11.2020, 14:00 Uhr
10. November 2020, von Reinhard Zierke
Einladung zur hochschulöffentlichen Disputation von
Frau Ya Chen
Titel der Dissertation:
Cheminformatics in Natural Product-Based Drug Discovery
Abstract:
Natural products (NPs) remain the most prolific source of inspiration for small-molecule drug discovery. Boosted by the increasing amount of data available on the chemical, biological, pharmacological and structural properties of NPs, computational approaches have become a mainstay in NP research. In silico methods are particularly useful as decision support tools, allowing experimentalists to focus their resources on the most promising directions. However, the current knowledge of the quantity, quality and relevance of the data available for modeling as well as of the scope and limitations of cheminformatics methods in NP-based drug discovery is limited.
This presentation reports on the outcomes of a PhD study focused on the development and application of in silico methods for natural product-based drug discovery, including (i) findings from comprehensive analyses of the available data that can be utilized for the advancement and application of in silico methods in the context of NP research, (ii) the development of a new method for cherry-picking NPs and NP-like compounds in large compound collections, and (iii) findings from the systematic exploration of a three-dimensional shape-based approach for the prediction of the biomacromolecular targets of complex small molecules such as NPs.
Datum und Uhrzeit: Dienstag, 10. November 2020 um 14:00 Uhr
Ort: per Videokonferenz in Zoom
Betreuer: Prof. Dr. Johannes Kirchmair und Prof. Dr. Matthias Rarey
Bei Interesse an der Videokonferenz teilzunehmen, melden Sie sich bitte bei Ya Chen(chen"AT"zbh.uni-hamburg.de).
Prof. Dr. Matthias Rarey
Vorsitzender des Fach-Promotionsausschusses Informatik