Multi-omics approaches to disease
September 16, 2017 – 17:28
High-throughput technologies have revolutionized medical research. The advent of genotyping arrays enabled large-scale genome-wide association studies and methods for examining global transcript levels, which gave rise to the field of “integrative genetics”. Other omics technologies, such as proteomics and metabolomics, are now often incorporated into the everyday methodology of biological researchers. As compared to studies of a single omics type, multi-omics offers the opportunity to understand the flow of information that underlies disease.
Entering the ‘big data’ era in medicinal chemistry
May 15, 2017 – 15:09
Medicinal chemistry is experiencing the advent of the big data era, which biology already entered more than a decade ago, due to the availability of high-throughput genomics technologies. In medicinal chemistry, which is an integral part of drug discovery and traditionally a conservative scientific discipline, big data primarily comprise rapidly increasing numbers of compounds and volumes of associated activity data.
While the practice of medicinal chemistry is just beginning to experience big data phenomena, it is evident that big data will play an increasingly important role going forward. More awareness of big data issues and potential caveats will still need to be raised to positively impact the field.
Polypharmacology in Drug Discovery
July 30, 2016 – 20:16
American scientists developed the Computational Analysis of Novel Drug Opportunities (CANDO) platform based on a hypothesis that drugs function by interacting with multiple protein targets to create a molecular interaction signature that can be exploited for therapeutic repurposing and discovery. They compiled a library of compounds that are human ingestible with minimal side effects, followed by an ‘all-compounds’ vs ‘all-proteins’ fragment-based multitarget docking with dynamics screen to construct compound-proteome interaction matrices that were then analyzed to determine similarity of drug behavior. The proteomic signature similarity of drugs is then ranked to make putative drug predictions for all indications in a shotgun manner.
Happy New Year
January 3, 2016 – 22:24
Dear Colleagues, we heartily wish you wonderful New Year! Make all your dreams come true and let us enjoy further our wonderful communication with you!
Our paper was published in Journal of Medicinal Chemistry
November 11, 2015 – 14:40
Design and Synthesis of N-Arylphthalimides as Inhibitors of Glucocorticoid-Induced TNF Receptor-Related Protein, Proinflammatory Mediators, and Cytokines in Carrageenan-Induced Lung Inflammation.
Progress in visual representations of chemical space
July 3, 2015 – 22:32
The concept of ‘chemical space’ reveals itself in two forms: the discrete set of all possible molecules, and multi-dimensional descriptor space encompassing all the possible molecules. Approaches based on this concept are widely used for the analysis and enumeration of the compound databases, library design, and structure–activity relationships (SAR) and landscape studies. Visual representations of chemical space differ in their applicability domains and features and require expert knowledge for choosing the right tool for a particular problem.
11th German Conference on Chemoinformatics
July 2, 2015 – 00:35
The conference will reflect and highlight the new role of cheminformatics in the modern information world. A wide range of subjects will be discussed related to the use of computers in chemistry, pharmacy, materials science and biology.
The topics of the conference are:
- Chemoinformatics and Drug Discovery
- Molecular Modelling
- Protein Modelling
3rd International Conference on Drug Discovery, India
July 1, 2015 – 21:34
SELECTBIO is announcing its 3rd International Conference Drug Discovery India 2015. The Drug Discovery India will be held as three separate conferences, Drug Discovery and Development, MedChem and NanoPharmaceuticals. The conference aims to expand and integrate knowledge by providing insights into the latest developments and innovations in the field of discovery and development of drugs.
The main topics of the conference are:
- Cell Signalling Pathways for Drug Discovery
- Discovery Approaches for Neglected Tropical Diseases
Discovery on Target
July 1, 2015 – 20:32
Discovery on target conference will be held in Boston, Masachuset, USA on September 22-24, 2015.
2nd EFMC Young Medicinal Chemist Symposium
July 1, 2015 – 19:37
The EFMC Young Medicinal Chemist Symposium is an initiative of the European Federation for Medicinal Chemistry (EFMC).The symposium is taking place in Antwerp, Belgium on September 17, 2015.
The main aim of the symposium is:
- Creating a network of young European investigators in Medicinal Chemistry
- Stimulating young European investigators in Medicinal Chemistry to share their scientific work with peers and inspiring leaders in the field
Drug Discovery Workshop, USA
July 1, 2015 – 18:47
The main topic of Drug Discovery Workshop is virtual screening, structure-based drug design, chemoinformatics and molecular modelling supporting drug discovery and design. Case studies are focused on Anti Malarial Drug Design. The workshop will be held on October 12-14, 2015 at Bryn Mawr College, Pennsylvania, USA.For more information visit: http://www.echeminfo.com/events/drug-discovery-usa-2015-autumn