Antithrombotic P2Y12 receptor antagonists: recent developments in drug discovery

2019 ◽  
Vol 24 (1) ◽  
pp. 325-333 ◽  
Author(s):  
Younis Baqi ◽  
Christa E. Müller
2016 ◽  
Vol 68 (18) ◽  
pp. B45
Author(s):  
Christian Dworeck ◽  
Inger Haraldsson ◽  
Oscar Angeras ◽  
Jacob Odenstedt ◽  
Dan Ioanes ◽  
...  

2010 ◽  
Vol 8 (1) ◽  
pp. 93-101 ◽  
Author(s):  
Carrie Oliphant ◽  
J. Doby ◽  
Crystal Blade ◽  
Kanak Das ◽  
Debabrata Mukherjee ◽  
...  

Author(s):  
S. Deshpande ◽  
S. K. Basu ◽  
X. Li ◽  
X. Chen

Smart and intelligent computational methods are essential nowadays for designing, manufacturing and optimizing new drugs. New and innovative computational tools and algorithms are consistently developed and applied for the development of novel therapeutic compounds in many research projects. Rapid developments in the architecture of computers have also provided complex calculations to be performed in a smart, intelligent and timely manner for desired quality outputs. Research groups worldwide are developing drug discovery platforms and innovative tools following smart manufacturing ideas using highly advanced biophysical, statistical and mathematical methods for accelerated discovery and analysis of smaller molecules. This chapter discusses novel innovative applications in drug discovery involving use of structure-based drug design which utilizes geometrical knowledge of the three-dimensional protein structures. It discusses statistical and physics based methods such as quantum mechanics and classical molecular dynamics which can also play a major role in improving the performance and in prediction of computational drug discovery. Lastly, the authors provide insights on recent developments in cloud computing with significant increase in smart and intelligent computational power thus allowing larger data sets to be analyzed simultaneously on multi processor cloud systems. Future directions for the research are outlined.


Molecules ◽  
2020 ◽  
Vol 25 (14) ◽  
pp. 3287 ◽  
Author(s):  
Berin Karaman Mayack ◽  
Wolfgang Sippl ◽  
Fidele Ntie-Kang

Natural products have been used for the treatment of human diseases since ancient history. Over time, due to the lack of precise tools and techniques for the separation, purification, and structural elucidation of active constituents in natural resources there has been a decline in financial support and efforts in characterization of natural products. Advances in the design of chemical compounds and the understanding of their functions is of pharmacological importance for the biomedical field. However, natural products regained attention as sources of novel drug candidates upon recent developments and progress in technology. Natural compounds were shown to bear an inherent ability to bind to biomacromolecules and cover an unparalleled chemical space in comparison to most libraries used for high-throughput screening. Thus, natural products hold a great potential for the drug discovery of new scaffolds for therapeutic targets such as sirtuins. Sirtuins are Class III histone deacetylases that have been linked to many diseases such as Parkinson`s disease, Alzheimer’s disease, type II diabetes, and cancer linked to aging. In this review, we examine the revitalization of interest in natural products for drug discovery and discuss natural product modulators of sirtuins that could serve as a starting point for the development of isoform selective and highly potent drug-like compounds, as well as the potential application of naturally occurring sirtuin inhibitors in human health and those in clinical trials.


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