Literature DB >> 11854055

The evolving role of information technology in the drug discovery process.

Jeffrey Augen1.   

Abstract

Information technologies for chemical structure prediction, heterogeneous database access, pattern discovery, and systems and molecular modeling have evolved to become core components of the modern drug discovery process. As this evolution continues, the balance between in silico modeling and 'wet' chemistry will continue to shift and it might eventually be possible to step through the discovery pipeline without the aid of traditional laboratory techniques. Rapid advances in the industrialization of gene sequencing combined with databases of protein sequence and structure have created a target-rich but lead-poor environment. During the next decade, newer information technologies that facilitate the molecular modeling of drug-target interactions are likely to shift this balance towards molecular-based personalized medicine -- the ultimate goal of the drug discovery process.

Mesh:

Year:  2002        PMID: 11854055     DOI: 10.1016/s1359-6446(02)02173-6

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  7 in total

1.  A novel scoring function for molecular docking.

Authors:  A E Muryshev; D N Tarasov; A V Butygin; O Yu Butygina; A B Aleksandrov; S M Nikitin
Journal:  J Comput Aided Mol Des       Date:  2003-09       Impact factor: 3.686

2.  High-potency olfactory receptor agonists discovered by virtual high-throughput screening: molecular probes for receptor structure and olfactory function.

Authors:  Nicolas Triballeau; Eric Van Name; Guillaume Laslier; Diana Cai; Guillaume Paillard; Peter W Sorensen; Rémy Hoffmann; Hugues-Olivier Bertrand; John Ngai; Francine C Acher
Journal:  Neuron       Date:  2008-12-10       Impact factor: 17.173

Review 3.  Quantum mechanics implementation in drug-design workflows: does it really help?

Authors:  Olayide A Arodola; Mahmoud Es Soliman
Journal:  Drug Des Devel Ther       Date:  2017-08-31       Impact factor: 4.162

4.  Homology Modeling and Virtual Screening Studies of Antigen MLAA-42 Protein: Identification of Novel Drug Candidates against Leukemia-An In Silico Approach.

Authors:  Ihsan A Shehadi; Huda R M Rashdan; Aboubakr H Abdelmonsef
Journal:  Comput Math Methods Med       Date:  2020-03-16       Impact factor: 2.238

5.  Untangling the multi-regime molecular mechanism of verbenol-chemotype Zingiber officinale essential oil against Aspergillus flavus and aflatoxin B1.

Authors:  Prem Pratap Singh; Atul Kumar Jaiswal; Akshay Kumar; Vishal Gupta; Bhanu Prakash
Journal:  Sci Rep       Date:  2021-03-25       Impact factor: 4.379

6.  Service-based analysis of biological pathways.

Authors:  George Zheng; Athman Bouguettaya
Journal:  BMC Bioinformatics       Date:  2009-10-01       Impact factor: 3.307

7.  A novel framework for horizontal and vertical data integration in cancer studies with application to survival time prediction models.

Authors:  Iliyan Mihaylov; Maciej Kańduła; Milko Krachunov; Dimitar Vassilev
Journal:  Biol Direct       Date:  2019-11-21       Impact factor: 4.540

  7 in total

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