The utility of consensus approaches in virtual drug discovery

Published on November 28, 2019   76 min

Other Talks in the Category: Pharmaceutical Sciences

0:00
Hi, my name is Dr. Douglass R. Houston. I'm a senior lecturer at the University of Edinburgh. My field is biochemistry and specifically, drug discovery and especially with a strong emphasis on computational drug discovery. I'm going to be talking today about the utility of consensus approaches in virtual drug discovery.
0:26
Before I get to the computational side of drug discovery and in particular, the methodology of virtual screening, I thought I'd just give a quick introduction into the field of high-throughput screening as used by both academia and the pharmaceutical industry in the drug discovery field at the moment. So, you've probably seen a diagram like this before. It's essentially a pipeline detailing the different steps that you usually have to go through when performing a drug discovery project and this is state of the art; it's fairly standard now, especially in the pharmaceutical industry. So, you start on the left with target discovery. So, that essentially is the stage zero where you're actually trying to find a drug target that ought to be suitable for treating a particular disease. So, for example, if your disease of interest is a type of cancer, then an oncogene that encodes an oncoprotein might be a worthwhile target. There are various computational approaches that can complement target discovery, but that's not what I'm going to be talking about today. I'm going to be talking about the computational or virtual versions of the next step in the pipeline which is lead discovery. But, this is the step that comes after you've determined what you hope is a good drug target, then you have to embark on a series of experiments to try and find small molecules, hopefully, drug-like compounds that modulate the activity of the target in order to give you the effect that you're hoping for in terms of treating a particular disease. So, there are a few approaches to this lead discovery step. A few experimental so-called wet-lab approaches, we've got listed here: fragment-based screening, focused libraries, but the main one, the big one that's usually used, especially in big pharma is the first one on the list- high-throughput screening or HTS.
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The utility of consensus approaches in virtual drug discovery

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