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Principal Investigator: MARC NICKLAUS
Organization: DIVISION OF BASIC SCIENCES - NCI
Fiscal Year: 2021
Award: $124,554
Funding agency: National Cancer Institute
In collaboration with several Principal Investigators at the CCR/NCI, in silico screening of large small-molecule databases are being conducted for a number of molecular targets relevant for cancer. We are using the CADD Group's resources, including our screening databases to generate lists of compounds to be purchased from commercial suppliers, with the goal of obtaining novel lead compounds in in vitro and/or cell-based assays. We have been working with Julieta Comin, Instituto Nacional de Tecnologia Industrial, Argentina; herpes thymidine kinase, in collaboration with Victor E. Marquez, formerly Laboratory of Medicinal Chemistry, CCR, NCI; bis-imidazoacridone DNA intercalators, in collaboration with Sergey Tarasov, CSB, CCR, NCI; small-molecule mimetics of a surface patch of thrombospondin-1 (TSP1) interacting with CD47 as well as for the interacting SIRP-alpha protein, in collaboration with David D. Roberts, Laboratory of Pathology, CCR, NCI; the interaction of the transcription factor HIF-1 alpha with cofactor p300, in collaboration with William Douglas Figg Sr., GMB, CCR, NCI; the development of targeted therapy for CBF leukemias by targeting the CBF-beta and Runx1 interaction, in collaboration with Paul Liu, NHGRI, NIH; in silico screening and modeling support for screening for SUMOylation inhibitors, in collaboration with John S. Schneekloth, Jr., CBL, CCR, NCI; modeling support for screening for lysine acetyltransferase inhibitors, in collaboration with Jordan Meier, CBL, CCR, NCI; modeling and in silico screening for inhibitors of C-Terminal Binding protein, in collaboration with Kevin Gardner, Columbia University Medical Center, New York, NY. A collaboration in this area is with Jeff Gildersleeve, CBL, CCR, NCI, on the Immunological Evolution of Therapeutic Antibodies to Ganglioside GD2. A collaboration is with Jay Schneekloth about HRAS. Recent in silico screening collaborations are with Euna Yoo on USP18, Martin Schnermann on PBD dimers, Andre Nussenzweig on Werner helicase, Stan Lipkowitz on Cbl-b, Doug Figg/Dong Seok Kim (AevisBio) on thalidomide analogs, Kevin Gardner on CtBP, and Javed Khan & Bob Hawley on KDM3B. A very important part of our in silico screening collaboration is with Nadya Tarasova, Synthetic Biologics and Drug Discovery Facility, LCIM, CCR, NCI, in the context of our SAVI project, by applying the SAVI Database to find active molecules against cancer and SARS-Cov-2 targets.
Terms: <2019 novel corona virus><2019 novel coronavirus><2019-nCoV><Academic Medical Centers><Acetyltransferase><Area><Argentina><Assay><Basal Transcription Factor><Basal transcription factor genes><Basic Mechanisms of SUMOylation><Bioassay><Biologic Assays><Biological><Biological Assay><C-terminal binding protein><CBF><CBL><CBL gene><CBL2><CCR><CD47><CD47 Antigen><CD47 Glycoprotein><CD47 gene><COVID-19 virus><COVID19 virus><Cancer Screening for Patients><Cancers><Cas-Br-M (Murine) Ecotropic Retroviral Transforming Sequence><Cell Body><Cells><Clinical><CoV-2><CoV2><Collaborations><Computer software><Core-Binding Factor><CtBP protein><DNA><DNA Helicases><DNA Intercalating Agent><DNA Unwinding Proteins><DNA unwinding enzyme><Data Bases><Databases><Deoxypyrimidine Kinase><Deoxyribonucleic Acid><Deoxythymidine Kinase><Development><E1A Binding Protein p300><EP300><EP300 gene><Evolution><Ganglioside GD2><General Transcription Factor Gene><General Transcription Factors><Goals><H-ras><H-ras Gene><H-ras Oncogene><HIF 1 alpha><HIF-1alpha><HIF1-Alpha><HIF1A><HIF1A gene><HIF1α><HRAS><HRAS gene><HRAS1><Harvey Rat Sarcoma Viral Oncogene Homolog><Immunochemical Immunologic><Immunologic><Immunological><Immunologically><Immunologics><In Vitro><Industrialization><Integrin-Associated Protein><Intercalating Agents><Intercalating Ligands><Intercalative Compounds><Intercalators><Jordan><KAT3B><L-Lysine><Laboratories><Lysine><MER6><MOP1><Malignant Neoplasms><Malignant Tumor><Medicinal Chemistry><Modeling><Molecular Target><NHGRI><NIH><National Center for Human Genome Research><National Human Genome Research Institute><National Institutes of Health><New York><Pathology><Pharmaceutic Chemistry><Pharmaceutical Chemistry><Principal Investigator><Proteins><RAS genes><RASH1><Research Resources><Resources><SARS corona virus 2><SARS-CoV-2><SARS-CoV2><SARS-associated corona virus 2><SARS-associated coronavirus 2><SARS-coronavirus-2><SARS-related corona virus 2><SARS-related coronavirus 2><SARSCoV2><SUMOylation><Screening for cancer><Sedalis><Severe Acute Respiratory Distress Syndrome CoV 2><Severe Acute Respiratory Distress Syndrome Corona Virus 2><Severe Acute Respiratory Distress Syndrome Coronavirus 2><Severe Acute Respiratory Syndrome CoV 2><Severe Acute Respiratory Syndrome-associated coronavirus 2><Severe Acute Respiratory Syndrome-related coronavirus 2><Severe acute respiratory syndrome associated corona virus 2><Severe acute respiratory syndrome corona virus 2><Severe acute respiratory syndrome coronavirus 2><Severe acute respiratory syndrome related corona virus 2><Software><Sumoylation Pathway><Surface><Surface Antigen Identified by Monoclonal Antibody 1D8><TSP-1><TSP1><Thalidomide><Therapeutic antibodies><Thrombospondin 1><Thymidine Kinase><Transcription Factor Proto-Oncogene><Transcription factor genes><United States National Institutes of Health><University Medical Centers><Wuhan coronavirus><analog><base><cofactor><coronavirus disease 2019 virus><data base><design><designing><developmental><dimer><drug discovery><early cancer detection><hCoV19><helicase><histone acetyltransferase p300><in silico><inhibitor><inhibitor/antagonist><interest><leukemia><malignancy><mimetics><nCoV2><neoplasm/cancer><new drug treatments><new drugs><new therapeutics><new therapy><next generation therapeutics><novel><novel drug treatments><novel drugs><novel lead compound><novel therapeutics><novel therapy><p300><screening><small molecule><targeted drug therapy><targeted drug treatments><targeted therapeutic><targeted therapeutic agents><targeted therapy><targeted treatment><transcription factor><v-Ha-RAS Harvey Rat Sarcoma Viral Oncogene Homolog>