BEGIN:VCALENDAR VERSION:2.0 PRODID:-//Memento EPFL// BEGIN:VEVENT SUMMARY:CoVid-19: challenges and responses in simulation\, modeling and be yond - 3rd CECAM Webinar DTSTART:20200505T150000 DTEND:20200505T164500 DTSTAMP:20260408T044332Z UID:a23a24f9bd1c360abe66e39990e334c213b9a6c63570d2945d4d80e8 CATEGORIES:Conferences - Seminars DESCRIPTION:Andrea Cavalli (Università di Bologna and IIT Genova) & Mode sto Orozco (the Institute for Research in Biomedics\, Barcelona)\nIn this series of webinars\, CECAM offers insights on current initiatives and pro vide an opportunity to learn and discuss general aspects of the problem an d more specific projects. Four e-meetings are currently planned for April 21st and 28th\, May 5th and 12th. You can find more information on this in itiative here.\n\nThis third chapter will be livestreamed on Youtube o n May 5th\, at 15:00 CEST. \n\nProgram:\n15:00   Welcome and Introductio n\, Ignacio Pagonabarraga (CECAM)\n15:10   Andrea Cavalli (Università di Bologna and IIT Genova): Current therapeutic options for CoVid-19: predi ction of mechanism of action through atomistic simulations and machine lea rning\n15:40   Coffe-e-break\n15:50   Modesto Orozco (the Institute for Research in Biomedics\, Barcelona): HPC and BigData approaches in Covid1 9 research\n16:20   Questions and Answers\n\nAbstracts:\n\nCurrent therap eutic options for CoVid-19: prediction of mechanism of action through atom istic simulations and machine learning\nSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)-associated coronavirus disease 2019 (CoVid-19) has gripped the world in a pandemic\, challenging its healthcare infrastru cture\, economy\, and culture.Major efforts are underway to quickly identi fy therapeutic options to treat and prevent the spread of CoVid-19. A thre e-stage classification for CoVid-19 has recently been proposed\, with incr easing severity that corresponds to distinct clinical findings\, response s to therapy\, and clinical outcomes. The initial stage occurs at the tim e of the virus inoculation and early establishment of the disease. In the second stage\, an established pulmonary disease can be observed with vira l multiplication and inflammation usually localized in the lung.\nThe thir d stage usually shows an extra-pulmonary systemic hyperinflammation syndro me\, resulting in adecrease in helper\, suppressor\, and regulatory T cell counts. Different therapeutic options must be considered for the differe nt stages of the disease\, with targets at the virus particles or within t he human cells that should be carefully selected and properly modulated. In stage I and IIA\, antiviral compounds should be considered\, whereas a nti-inflammatory drugs and immunomodulators are the best option for stages IIB and III. In this talk\, we discuss the current therapeutic options a nd target selection for the different stages of CoVid-19\, with particula r focus on computational studies able to in depth rationalize and predict mechanism of actions and point to the most promising drugs from the FDA- (or EMA-) approved medicines. Finally\, a study based on machine learning will be presented\, which was able to discover promising pathways and ta rgets pointing also to polypharmacology mechanism of action as an innovati ve way to target current and\nfuture coronavirus outbreaks.\n\nHPC and Big Data approaches in Covid19 research:\nAt a time where we though major thr eats for human health would never come from infection diseases\, COVID19 h as showed has how fragile we are\, both as individuals and as a society to infections originated from viruses that were kept cryptic in exotic anima ls for centuries. Virus emergences hit us with an expansion rate faster th an our ability to find cures and generates a sense of panic in the society . COVID19 is being a nightmare\, but we cannot neglect a few positive aspe cts in the current situation\, one of them\, the impressive multidisciplin ary response of the scientific community that is not only focus on finding treatments\, but that is sharing all the information. Molecular simulatio n techniques are become crucial in the multidisciplinary approach to fight COVID19 and thousands of groups around the world are running simulations on COVID19 systems\, both in local computers and in high performance compu ter centers which are prioritizing COVID19 research. I will comment a coup le of initiatives done in Barcelona to: i) optimize the use of HPC resourc e to COVID19 research and ii) optimize the way in which the structural inf ormation on COVID19 system is stored\, analyzed and shared.\n  LOCATION:Digital event broadcasted on Youtube STATUS:CONFIRMED END:VEVENT END:VCALENDAR