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Interactions of retroviral and host proteins guided by advanced modeling

Award Number: R35GM122518
ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
OPDIV: NIH
AWARD CLASS: DISCRETIONARY
AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)
PERIOD OF PERFORMANCE START DATE: 09/30/2017
PERIOD OF PERFORMANCE END DATE: 12/31/2027

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Interactions of retroviral and host proteins guided by advanced modeling - ABSTRACT With the recent revolution in artificial intelligence for molecular design and protein structure prediction, we were motivated to apply these new tools to address bottlenecks in our research focusing on retroviral entry, integration, and drug design. Viral entry and receptor usage has become a major focus with the emergence of new viruses with expanded host and tissue specificities. Our research focuses on the ability of retroviral Envelopes to select and utilize novel host cell receptors. In this proposal, we are utilizing new approaches to identify and study two novel retroviral Env proteins and their host cell receptors. These include the binding of the A5/A9a Env protein to the host membrane protein SLC35F2 and the identification of the cognate receptor(s) for the L1 Env. Applying AlphaFold2, Phyre2 and Evolutionary Covariance structure prediction programs, we have a first generation model for SLC35F2, which serves as the foundation for a broad number of questions relating to the function of this orphan receptor. The second area of focus builds on the gammaretroviral Integrase (IN) protein binding to the host BET proteins. Through our structural studies of both the Murine Leukemia Leukemia (MLV) IN protein and the host NSD3 protein binding to the ET domain of the Brd3 BET protein, we are now able to apply our knowledge of the common binding pocket to advance approaches for studies of alternative binding substrates and small molecule inhibitors. The ET domain of the BET family of proteins serves as a node for multi-protein assemblies. Understanding the affinity of different proteins and small molecules to this ET binding pocket can have profound effects of gammaretroviral pathogenesis as well as gene and oncogene regulation. Using computer-aided drug discovery approaches, we have identified first-in-class lead compounds targeting the ET domain. These studies build on our cohesive collaborative research team with expertise in virology, NMR structural studies, and bioinformatics.


Issue Date FY	Funding FY	Legal Entity Name	Legal Entity Address	Legal Entity City	Legal Entity State	Legal Entity Zip Code	Legal Entity COUNTY	Legal Entity COUNTRY	Assistance Listing	Award Code	Budget Year	Action Date	Action Type	Action Amount

Issue Date FY: 2025 ( Subtotal = $565,200 )
2025	2025	RUTGERS THE STATE UNIVERSITY OF NEW JERSEY	65 BERGEN ST	NEWARK	NJ	07107	ESSEX	USA	Biomedical Research and Research Training	001	8	12/19/2024	NON-COMPETING CONTINUATION	$565,200
2025	2024	RUTGERS THE STATE UNIVERSITY OF NEW JERSEY	65 BERGEN ST	NEWARK	NJ	07107	ESSEX	USA	Biomedical Research and Research Training	000	7	11/11/2024	NON-COMPETING CONTINUATION	$0
														Subtotal = $565,200

Issue Date FY: 2024 ( Subtotal = $654,599 )
2024	2024	RUTGERS THE STATE UNIVERSITY OF NEW JERSEY	65 BERGEN ST	NEWARK	NJ	07107	ESSEX	USA	Biomedical Research and Research Training	001	7	6/19/2024	NON-COMPETING CONTINUATION	$62,800
2024	2024	RUTGERS THE STATE UNIVERSITY OF NEW JERSEY	65 BERGEN ST	NEWARK	NJ	07107	ESSEX	USA	Biomedical Research and Research Training	002	7	8/21/2024	SUPPLEMENT FOR EXPANSION	$26,599
2024	2024	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	65 BERGEN ST	NEWARK	NJ	07107	ESSEX	USA	Biomedical Research and Research Training	000	7	12/1/2023	NON-COMPETING CONTINUATION	$565,200
														Subtotal = $654,599

Issue Date FY: 2023 ( Subtotal = $644,288 )
2023	2023	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	65 BERGEN ST	NEWARK	NJ	07107	ESSEX	USA	Biomedical Research and Research Training	003	6	6/30/2023	COMPETING CONTINUATION	$173,903
2023	2023	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	65 BERGEN ST	NEWARK	NJ	07107	ESSEX	USA	Biomedical Research and Research Training	001	6	2/14/2023	COMPETING CONTINUATION	$644,288
2023	2021	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	675 HOES LN	PISCATAWAY	NJ	08854	MIDDLESEX	USA	Biomedical Research and Research Training	002	5	6/30/2023	NON-COMPETING CONTINUATION	-$173,903
2023	2021	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	675 HOES LN	PISCATAWAY	NJ	08854	MIDDLESEX	USA	Biomedical Research and Research Training	000	5	2/6/2023	NON-COMPETING CONTINUATION	$0
														Subtotal = $644,288

Issue Date FY: 2021 ( Subtotal = $630,341 )
2021	2021	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	675 HOES LN	PISCATAWAY	NJ	08854	MIDDLESEX	USA	Biomedical Research and Research Training	000	5	8/23/2021	NON-COMPETING CONTINUATION	$630,341
														Subtotal = $630,341

Issue Date FY: 2020 ( Subtotal = $630,341 )
2020	2020	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	675 HOES LN	PISCATAWAY	NJ	08854	MIDDLESEX	USA	Biomedical Research and Research Training	000	4	9/18/2020	NON-COMPETING CONTINUATION	$630,341
														Subtotal = $630,341

Issue Date FY: 2019 ( Subtotal = $697,323 )
2019	2019	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	675 HOES LN	PISCATAWAY	NJ	08854	MIDDLESEX	USA	Biomedical Research and Research Training	001	3	8/27/2019	SUPPLEMENT FOR EXPANSION	$66,982
2019	2019	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	675 HOES LN	PISCATAWAY	NJ	08854	MIDDLESEX	USA	Biomedical Research and Research Training	000	3	8/26/2019	NON-COMPETING CONTINUATION	$630,341
														Subtotal = $697,323

Issue Date FY: 2018 ( Subtotal = $630,341 )
2018	2018	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	675 HOES LN	PISCATAWAY	NJ	08854	MIDDLESEX	USA	Biomedical Research and Research Training	000	2	8/31/2018	NON-COMPETING CONTINUATION	$630,341
														Subtotal = $630,341

Issue Date FY: 2017 ( Subtotal = $332,691 )
2017	2017	RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY	675 HOES LN	PISCATAWAY	NJ	08854	MIDDLESEX	USA	Biomedical Research and Research Training	000	1	9/22/2017	NEW	$332,691
														Subtotal = $332,691

Grand Total All Awards = $4,785,124

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Interactions of retroviral and host proteins guided by advanced modeling

Award Number: R35GM122518

ORGANIZATION: NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES

OPDIV: NIH

AWARD CLASS: DISCRETIONARY

AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)

PERIOD OF PERFORMANCE START DATE: 09/30/2017

PERIOD OF PERFORMANCE END DATE: 12/31/2027

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