RESEARCH: COVID-19
FOLDING PROJECT #16604 PROFILE

This project uses computer simulations to study how SARS-CoV-2 proteins (nsp12, nsp14) interact with RNA and drugs. The goal is to find existing medications that can be repurposed to stop the virus from replicating.

Note: This TLDR is a simplication and may not be 100% accurate.

This series of GPU projects to simulation the Nonstructural protein 12 (nsp12) and Nonstructural protein 14 (nsp14) complexes.

We will screen existing FDA-approved NTP analog drugs (e.g.

Ribirine).

We aim to repurpose drugs that can inhibit SARS-CoV-2 replication 16600: Nonstructural protein 14 and 10 (nsp14-ExoN & nsp 10) of the SARS-CoV-2 in complex with a short nascent RNA containing Cladribine at 3'-terminal. 16602: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP in active site 16603: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP. 16604: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and GTP.

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Nonstructural protein 12

A viral protein essential for replication.

Nonstructural protein 12 (nsp12) is a key enzyme within the SARS-CoV-2 virus responsible for replicating its genetic material. It plays a crucial role in the virus's ability to spread and cause infection.

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Nonstructural protein 14

A viral protein involved in RNA proofreading.

Nonstructural protein 14 (nsp14) is a crucial enzyme within the SARS-CoV-2 virus that helps to correct errors during RNA replication. This proofreading function ensures the accuracy of the viral genetic code, which is essential for its survival and spread.

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NTP analog

A molecule that resembles a natural nucleoside triphosphate (NTP) and can interfere with viral replication.

Nucleoside triphosphate (NTP) analogs are molecules designed to mimic the structure of natural building blocks used by viruses during replication. By incorporating themselves into the growing viral DNA or RNA chain, these analogs can disrupt the process, effectively inhibiting viral growth.

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Ribirine

A nucleoside analog with antiviral activity.

Ribirine is a nucleoside analog known to exhibit antiviral properties. It interferes with the replication of certain viruses by disrupting their ability to synthesize genetic material. Researchers are exploring its potential for repurposing as a treatment against various viral infections, including SARS-CoV-2.

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FDA

Food and Drug Administration

The Food and Drug Administration (FDA) is a federal agency responsible for regulating the safety and efficacy of drugs, biologics, medical devices, and other products marketed in the United States.

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SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

SARS-CoV-2 is the virus responsible for causing COVID-19. It's a type of coronavirus that primarily affects the respiratory system and can lead to severe illness, pneumonia, and in some cases, death.

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Cladribine

A nucleoside analog with antiviral and immunosuppressive properties.

Cladribine is a synthetic nucleoside analog that exhibits both antiviral and immunosuppressive effects. It's used in the treatment of certain types of leukemia and multiple sclerosis.

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GTP

Guanosine triphosphate

GTP is a nucleotide involved in various cellular processes, including energy transfer, protein synthesis, and signal transduction.

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ATP

Adenosine triphosphate

ATP is the primary energy currency of cells, providing energy for various cellular functions.