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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1974 6
1979 1
1984 1
1985 1
1986 2
1987 18
1988 83
1989 189
1990 209
1991 257
1992 280
1993 336
1994 434
1995 537
1996 580
1997 648
1998 833
1999 887
2000 1129
2001 1313
2002 1650
2003 1901
2004 1965
2005 2351
2006 2658
2007 3055
2008 3519
2009 3209
2010 2931
2011 3129
2012 3205
2013 3184
2014 3238
2015 3439
2016 3143
2017 3236
2018 3059
2019 1306
2020 41
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53,086 results
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Page 1
Progress in the Rational Design for Polypharmacology Drug.
Zhou J, et al. Curr Pharm Des 2016 - Review. PMID 26907948
BACKGROUND: Polypharmacology plays an important role in drug discovery. Polypharmacology drugs strategy provides a novel way in drug design. However, to develop a polypharmacology drug with desired profile remains a challenge. METHODS: Owing to the huge progress in computational biology and chemistry, the rational drug design is becoming increasingly important in discovery of polypharmacology drug. ...
BACKGROUND: Polypharmacology plays an important role in drug discovery. Polypharmacology drugs strategy provides a novel way in dr
Computational Multitarget Drug Design.
Zhang W, et al. J Chem Inf Model 2017. PMID 28166637
Many in silico methods have been developed to approach different aspects of this polypharmacology-guided drug design, particularly for drug repurposing and multitarget drug design. In this review, we summarize recent progress in computational multitarget drug design and discuss their advantages and limitations. ...
Many in silico methods have been developed to approach different aspects of this polypharmacology-guided drug design, particul …
Exploring Polypharmacology in Drug Design.
Saenz-Méndez P and Eriksson LA. Methods Mol Biol 2018. PMID 30039410
This "magic shotgun" approach for drug development properly describes the mechanism of biomolecular recognition. The need to take into account the polypharmacology in structure-based drug design has led to the development of several computational tools. ...
This "magic shotgun" approach for drug development properly describes the mechanism of biomolecular recognition. The need to take int …
Harnessing Polypharmacology with Computer-Aided Drug Design and Systems Biology.
Wathieu H, et al. Curr Pharm Des 2016 - Review. PMID 26907947
The ascent of polypharmacology in drug development has many implications for disease therapy, most notably in the efforts of drug discovery, drug repositioning, precision medicine and combination therapy. ...The two major areas we address are the discovery and prediction of multiple protein targets using the tools of computer-aided drug design, and the use of these protein targets in predicting therapeutic potential in the context of biological networks. ...
The ascent of polypharmacology in drug development has many implications for disease therapy, most notably in the efforts of drug
Advances in Computational Structure-Based Drug Design and Application in Drug Discovery.
Wang T, et al. Curr Top Med Chem 2016 - Review. PMID 26303430
Accordingly, it has become imperative to discover more rational and efficient strategies to design and develop novel drugs. Structure-based drug design/discovery (SBDD) is one of the computer-aided methods, by which novel drugs are designed or discovered based on the knowledge of 3D structures of the relevant specific targets. During the past few decades, the great potentials and success of SBDD have been seen in the field of drug discovery. In this review, we present an overview of the key mechanisms of SBDD, the frequently used computer programs in SBDD and the reported successful cases. ...
Accordingly, it has become imperative to discover more rational and efficient strategies to design and develop novel drugs. Structure …
3D-QSAR in drug design--a review.
Verma J, et al. Curr Top Med Chem 2010 - Review. PMID 19929826
It has served as a valuable predictive tool in the design of pharmaceuticals and agrochemicals. Although the trial and error factor involved in the development of a new drug cannot be ignored completely, QSAR certainly decreases the number of compounds to be synthesized by facilitating the selection of the most promising candidates. ...This review seeks to provide a bird's eye view of the different 3D-QSAR approaches employed within the current drug discovery community to construct predictive structure-activity relationships and also discusses the limitations that are fundamental to these approaches, as well as those that might be overcome with the improved strategies. ...
It has served as a valuable predictive tool in the design of pharmaceuticals and agrochemicals. Although the trial and error factor i …
Preface
Lawton G and Witty D. Prog Med Chem 2016. PMID 26852937
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