RESEARCH: COVID-19
FOLDING PROJECT #16606 PROFILE

This project uses computer simulations to study how certain antiviral drugs might block the replication of the SARS-CoV-2 virus. Scientists are looking at how these drugs interact with specific proteins (nsp12, nsp14) that are crucial for viral copying. The goal is to find existing medications that can be repurposed to treat COVID-19.

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. 16605: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP. 16606: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP. 16607: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP.

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Nonstructural protein 12

A viral protein essential for RNA replication.

Nonstructural protein 12 (nsp12) is a key enzyme in the SARS-CoV-2 virus. It's responsible for copying the virus's genetic material, RNA. Researchers are studying nsp12 to develop new antiviral drugs that can stop the virus from replicating.

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Nonstructural protein 14

A viral protein involved in RNA proofreading and replication.

Nonstructural protein 14 (nsp14) is another important protein found in the SARS-CoV-2 virus. It acts like a quality control mechanism, checking for errors during RNA replication. Scientists are exploring ways to target nsp14 to inhibit viral replication.

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FDA

Food and Drug Administration

The FDA is a US government agency responsible for ensuring the safety and effectiveness of medications, food, and other products.

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NTP

Nucleoside Triphosphate Analog

NTP analogs are molecules that resemble the building blocks of RNA. They can be used as antiviral drugs to inhibit viral replication.

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Ribirine

A nucleoside analog with antiviral properties.

Ribirine is a type of drug that can interfere with viral replication. It's been studied for its potential use against various viruses.

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SARS-CoV-2

Severe Acute Respiratory Syndrome Coronavirus 2

SARS-CoV-2 is the virus that causes COVID-19. It's a respiratory virus that can spread easily from person to person.

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Cladribine

A nucleoside analog used in the treatment of certain types of cancer.

Cladribine is a medication that interferes with DNA replication, making it useful for treating certain cancers. It's also being studied for its potential antiviral activity.

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ATP

Adenosine Triphosphate

ATP is the primary energy currency of cells. It's essential for many biological processes, including muscle contraction and nerve impulse transmission.

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GTP

Guanosine Triphosphate

GTP is a molecule similar to ATP that plays important roles in cellular processes, such as protein synthesis and signal transduction.