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Drug Discovery and Development Explained: Introductory Notes for the General Public
Drug discovery and development involve complex processes, highly integrated interdisciplinary research, and collaborations between academic groups and the private sector. It is a long and resource-intensive endeavor characterized by a high attrition rate. Yet new strategies are being explored, aiming at accelerating the development of novel treatments, from the combination of artificial intelligence with cutting-edge experimental approaches, and the development of novel types of therapeutic agents to personalized medicine. Because drug discovery and development is a vast field with many stakeholders and potential conflicts of interest, it is important that the general public gains basic know...
Artificial Neural Networks and Machine Learning – ICANN 2019: Theoretical Neural Computation
The proceedings set LNCS 11727, 11728, 11729, 11730, and 11731 constitute the proceedings of the 28th International Conference on Artificial Neural Networks, ICANN 2019, held in Munich, Germany, in September 2019. The total of 277 full papers and 43 short papers presented in these proceedings was carefully reviewed and selected from 494 submissions. They were organized in 5 volumes focusing on theoretical neural computation; deep learning; image processing; text and time series; and workshop and special sessions.
Artificial Neural Networks and Machine Learning – ICANN 2019: Text and Time Series
The proceedings set LNCS 11727, 11728, 11729, 11730, and 11731 constitute the proceedings of the 28th International Conference on Artificial Neural Networks, ICANN 2019, held in Munich, Germany, in September 2019. The total of 277 full papers and 43 short papers presented in these proceedings was carefully reviewed and selected from 494 submissions. They were organized in 5 volumes focusing on theoretical neural computation; deep learning; image processing; text and time series; and workshop and special sessions.
Development of COVID-19 Therapies: Lessons Learnt and Ongoing Efforts
Massive experimental, computational, and clinical studies have been performed worldwide, and are still ongoing, to understand and characterize Covid-19 molecular basis and transmission mechanisms, to develop diagnostics and vaccines, and to search for small chemical drug candidates and therapeutic proteins and peptides. Impressive results have been obtained for transmission control and vaccines so far, but what is the status of the other therapeutic options? The crisis has exposed different types of weaknesses in biomedical research in many countries. What can we learn from this crisis in the field of drug discovery and development so as to emerge stronger? The Covid-19 crisis has revealed t...
In-Silico Lead Discovery
Computer-aided drug design and in silico screening have contributed to the discovery of several compounds that have either reached the market or entered clinical trials. In silico Lead Discovery is a compilation of the efforts of several experts on bioinf
Artificial Neural Networks and Machine Learning – ICANN 2019: Image Processing
The proceedings set LNCS 11727, 11728, 11729, 11730, and 11731 constitute the proceedings of the 28th International Conference on Artificial Neural Networks, ICANN 2019, held in Munich, Germany, in September 2019. The total of 277 full papers and 43 short papers presented in these proceedings was carefully reviewed and selected from 494 submissions. They were organized in 5 volumes focusing on theoretical neural computation; deep learning; image processing; text and time series; and workshop and special sessions.
Recent Advances in Thrombosis and Hemostasis
Now more than ever, thrombotic and thromboembolic disorders as well as related diseases such as malignancies, arteriosclerosis, diabetes mellitus, hypertension, and obesity are the leading causes of morbidity and mortality. They have become urgent medical problems with serious economic consequences in industrialized and devel- ing countries alike. At the same time, the impact of molecular biology and genetics on our understanding of thrombosis and hemostasis is rapidly growing stronger as well as our knowledge of regeneration and development of specific tissues, organs, and embryos. Researchers are also constantly learning more about cardiovascular diseases as well as regulatory mechanisms f...
ADMET for Medicinal Chemists
This book guides medicinal chemists in how to implement early ADMET testing in their workflow in order to improve both the speed and efficiency of their efforts. Although many pharmaceutical companies have dedicated groups directly interfacing with drug discovery, the scientific principles and strategies are practiced in a variety of different ways. This book answers the need to regularize the drug discovery interface; it defines and reviews the field of ADME for medicinal chemists. In addition, the scientific principles and the tools utilized by ADME scientists in a discovery setting, as applied to medicinal chemistry and structure modification to improve drug-like properties of drug candidates, are examined.
Protein-Protein Interactions in Drug Discovery
Treating protein-protein interactions as a novel and highly promising class of drug targets, this volume introduces the underlying strategies step by step, from the biology of PPIs to biophysical and computational methods for their investigation. The main part of the book describes examples of protein targets for which small molecule modulators have been developed, covering such diverse fields as cancer, autoimmune disorders and infectious diseases. Tailor-made for the practicing medicinal chemist, this ready reference includes a wide selection of case studies taken straight from the development pipeline of major pharmaceutical companies to illustrate the power and potential of this approach...
Virtual Screening
Drug discovery is all about finding small molecules that interact in a desired way with larger molecules, namely proteins and other macromolecules in the human body. If the three-dimensional structures of both the small and large molecule are known, their interaction can be tested by computer simulation with a reasonable degree of accuracy. Alternatively, if active ligands are already available, molecular similarity searches can be used to find new molecules. This virtual screening can even be applied to compounds that have yet to be synthesized, as opposed to "real" screening that requires cost- and labor-intensive laboratory testing with previously synthesized drug compounds. Unique in its...
