2020
DOI: 10.1186/s43094-020-00047-9
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Exploring different approaches to improve the success of drug discovery and development projects: a review

Abstract: Background: There has been a significant increase in the cost and timeline of delivering new drugs for clinical use over the last three decades. Despite the increased investments in research infrastructure by pharmaceutical companies and technological advances in the scientific tools available, efforts to increase the number of molecules coming through the drug development pipeline have largely been unfruitful. Main body: A non-systematic review of the current literature was undertaken to enumerate the various… Show more

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Cited by 122 publications
(97 citation statements)
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References 83 publications
(92 reference statements)
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“…Advanced CADD in combination with high throughput biochemical and phenotypic screening are allowing the rapid evaluation of simulation results and the reduction of time for the discovery of new drugs. 96 The work presented here indeed shows how a computational procedure combined with experimental validation can correctly predict structure and affinity trends of effective hit molecules for a given target. This kind of combined approaches may be a key strategy especially against pandemic viruses and other pathogens, where the immediate identification of effective treatments is of paramount importance.…”
Section: Discussionmentioning
confidence: 62%
“…Advanced CADD in combination with high throughput biochemical and phenotypic screening are allowing the rapid evaluation of simulation results and the reduction of time for the discovery of new drugs. 96 The work presented here indeed shows how a computational procedure combined with experimental validation can correctly predict structure and affinity trends of effective hit molecules for a given target. This kind of combined approaches may be a key strategy especially against pandemic viruses and other pathogens, where the immediate identification of effective treatments is of paramount importance.…”
Section: Discussionmentioning
confidence: 62%
“…The high attrition rate of new chemical entities has been attributed majorly to poor pharmacokinetic profile [25]. The reported ligands have been shown to be drug-like, having satisfied the Lipinski's rule of five [15] and also possess pharmaceutically relevant properties when compared to 95% of orally available drugs [14].…”
Section: Discussionmentioning
confidence: 99%
“…After identifying the hit or lead molecules in the drug discovery pipeline, a series of tests and evaluation studies are executed to assess the physicochemical and toxicity properties of the candidate drug molecule. Thus, early identification and weaning of drug candidates with poor physical and chemical properties reduce the failure rate during the drug discovery process [ 157 ]. The AI-based methods aid the execution of this process in a time-efficient manner from a large dataset to effectively predict the physicochemical properties of the compounds [ 158 , 159 ].…”
Section: Artificial Intelligence Methods and Their Role In Drug Discoverymentioning
confidence: 99%