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Confluence of Technologies Can Bring “Virtual Pharmacology” to the Next Level

   by Andrii Buvailo    1087
Confluence of Technologies Can Bring “Virtual Pharmacology” to the Next Level

In 1970-80s, the idea of virtual screening was regarded as a conceptual way to substitute costly and time-consuming experimental “screen-everything-you-have” approaches with a much faster and cheaper predictive modelling to cherry-pick only the best molecules for subsequent synthesis and validation in a lab. A great number of computational tools and approaches emerged, aiming at “pre-screening” new promising molecules, so called “hits”, or augmenting experimental screening programs to optimize efforts.

Navigating In REAL Chemical Space To Find Novel Medicines (Now 3.8 Billion Molecules)

   by Andrii Buvailo    2741
Navigating In REAL Chemical Space To Find Novel Medicines (Now 3.8 Billion Molecules)

[Latest update: 27.07.2018]

February 6 2018 will be marked in history as the day when an automobile embarked on a million year trip into far space. On that day, Falcon Heavy, the 230ft megarocket, successfully launched from Cape Canaveral, Florida, bringing on board Elon Musk’s personal Tesla Roadster with a crash test dummy called 'Starman' strapped into the driver's seat.

"The imagery of it is something that's going to get people excited around the world." says Elon Musk, a guy who literally revolutionized the area of space travel having developed and successfully tested first reusable rockets in the aerospace history, opening new horizons for cosmos explorations.

While advances in aeronautics are making news headlines daily, a much quieter scientific revolution is also happening in the area of “chemical space” explorations -- the one which might soon uncover novel medicines to cure diseases.

36 Web Resources For Target Hunting In Drug Discovery

   by Alfred Ajami, Andrii Buvailo    10873

Choosing the right biological target or a combination of targets is a fundamental task for any successful drug discovery project. All the subsequent efforts -- be it a small molecule hit identification, lead optimization, pharmacokinetic studies, or a clinical trial -- will just be as effective, at the end of the day, as was the initial decision to choose one target or another.