Webinar – Software tools for Fragment-Based Drug Discovery

Webinar - Software tools for Fragment-Based Drug Discovery
  • Nov/12/2019

“Mnova software tools for the whole workflow of Fragment-Based Drug Discovery using 1D and 2D NMR”

This webinar was about another hot topic in the NMR field, software tools Fragment-Based Drug Discovery (FBDD). Our colleague Dr. Chen Peng described a set of software tools aimed at streamlining the data analysis and management involved in the whole FBDD workflow.

SPEAKER
Dr. Chen Peng

DATE
Tuesday, November 12th

TIME
11.30am (EST) / 5.30pm (CET)

Video webinar on demand –  Fill in this form and watch the recorded session!

ABSTRACT

Fragment-based lead detection using NMR spectroscopic methods have proven to be an effective approach to drug discovery.  In the past decade, we have developed a set of software tools aimed at streamlining the data analysis and management involved in the whole workflow.  We are proud to present the following tools:

  1. Batch processing tools for quality control of the library compounds by structure verification and solubility test using 1D NMR, and saving such spectral and structural information to a database.
  2. Tools for pooling compounds with minimum 1H or 19F peak overlap within the region of interest.
  3. Batch processing tools for analyzing 1D ligand-observed screening data, such as STD, T1rho, CPMG and WaterLogsy, and giving a list of hits.
  4. Batch processing tools for analyzing 2D protein-observed screening data, such as 1H-15N or 1H-13C HSQC, and giving a list of hits.
  5. Batch processing tools for analyzing 2D protein-observed titration data, and giving a list of chemical shift perturbation and Kd values.

Who should attend?

– Structural biologists and NMR specialists in Pharma industry.
– Researchers in structural biology and drug design.

ABOUT THE SPEAKER

Dr. Chen Peng

VP of Business Development – US and Asia

(Mestrelab Research)

Dr. Chen Peng is the Vice President of Business Development for North America and Asia at Mestrelab Research. He obtained his PhD from the Shanghai Institute of Organic Chemistry. Then he did post-doctoral research work on selective excitation NMR spectroscopy in Prof Geoffrey Bodenhausen’s group in the National High Magnetic Field Laboratory (Tallahassee, FL).

Chen also spent some years working at Spectrum Research, MSI/Accelrys, and Bio-Rad Informatics until he joined Mestrelab Research in 2008.

You can read here an extended bio about Dr. Chen Peng.