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REMINDER Maria Cristina (Cristy) Nonato Pharmaceutical Sciences University of Sao Paulo - Campus Ribeirão Preto WEDNESDAY, November 20, 13:30 (EST) "Fragment screening at CRAFT: Center for the Research and Advancement of Fragments and Molecular Targets" Register in advance for this meeting: https://bnl.zoomgov.com/meeting/register/vJIscuqtrjgsExz7h9bkUFNbgL30epHdHQY Time conversion Link: https://www.worldtimebuddy.com/<https://urldefense.com/v3/__https:/gcc02.safelinks.protection.outlook.com/?url=https*3A*2F*2Fwww.worldtimebuddy.com*2F&data=05*7C01*7Cgenoa.blankenship*40pnnl.gov*7C67ffe754733240e42d3e08da641ba4bc*7Cd6faa5f90ae240338c0130048a38deeb*7C0*7C0*7C637932367171794987*7CUnknown*7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0*3D*7C3000*7C*7C*7C&sdata=aSe2IUSomjge9ZW6zXdQ81fPzxpg8eawtRkoiOEJdXM*3D&reserved=0__;JSUlJSUlJSUlJSUlJSUlJSUlJSU!!P4SdNyxKAPE!Fd5kIAbibocFpkUaEbpqZZGm8tw-xiqb5oC4sfOklv6Kbbf-T3RvUobMSLrzyXNbfNVT9vMxJGuY1RsSqbc6MjpIABre1Q$> Abstract: Fragment screening is a key strategy in drug discovery, identifying small molecules that can be optimized into drug candidates and boosting the drug development process. Methods like NMR, thermal shift assays (TSA), and X-ray crystallography are commonly used to detect potential binders. At the Center for Research and Advancement of Fragments and Molecular Targets (CRAFT), we leverage diverse screening methods to find ligands targeting infectious diseases that disproportionately impact low-income and developing regions. CRAFT prioritizes neglected diseases like Leishmaniasis, Chagas, and Schistosomiasis, as well as viral and bacterial infections, including COVID-19 and Tuberculosis. CRAFT integrates fragment-based discovery with covalent inhibition and artificial intelligence, and we are developing fragment libraries inspired by Brazilian natural products. Our work on dihydroorotate dehydrogenase inhibitors has identified nanomolar-range binders, with crystal structures supporting structure-activity relationships. These findings are advancing new compounds with optimized pharmacokinetic properties further in the drug pipeline. ================= Vivian Stojanoff, PhD Education, Training, Outreach User Program p 1(631) 344 8375 e lifescie...@bnl.gov<mailto:lifescie...@bnl.gov> w https://www.bnl.gov/ps/lifesciences/<https://www.bnl.gov/ps/lsbr/> Address: Center for Biomolecular Structure National Synchrotron Light Source II Building 745 Brookhaven National Laboratory Upton NY 11973 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
