RESEARCH: COVID-19
FOLDING PROJECT #16603 PROFILE

This project uses computer models to simulate how proteins from the SARS-CoV-2 virus work. Scientists will test existing drugs, like Ribavirin, to see if they can block these proteins and 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 RNA replication.

Nonstructural protein 12 (nsp12) is a key enzyme within the SARS-CoV-2 virus responsible for replicating its RNA genetic material. This process is crucial for the virus to spread and infect new cells. Scientists are actively researching nsp12 as a potential target for antiviral drugs.

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Nonstructural protein 14

A viral protein involved in RNA proofreading and editing.

Nonstructural protein 14 (nsp14) plays a role in ensuring the accuracy of the SARS-CoV-2 virus's genetic material during replication. It acts as a 'proofreader,' correcting errors that may occur during the copying process. This function is essential for the virus to maintain its integrity and continue replicating effectively.

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FDA

Food and Drug Administration

The FDA is a government agency responsible for ensuring the safety and effectiveness of drugs, medical devices, and other products used in healthcare.

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NTP analog

A molecule structurally similar to a nucleoside triphosphate (NTP), often used in antiviral therapy.

Nucleoside triphosphates (NTPs) are building blocks for RNA and DNA. NTP analogs are designed to mimic these natural molecules but interfere with viral replication. They can act as 'false' nucleotides, disrupting the virus's ability to copy its genetic material.

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Ribavirin

A nucleoside analog antiviral drug.

Ribavirin is an FDA-approved antiviral medication used to treat various viral infections, including hepatitis C and respiratory syncytial virus (RSV). It works by interfering with the replication of viral RNA.

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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 is a type of coronavirus that primarily affects the respiratory system.

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Cladribine

An antiviral drug used to treat multiple sclerosis.

Cladribine is a nucleoside analog that interferes with the replication of DNA. It is used in the treatment of multiple sclerosis by suppressing the immune system's attack on nerve cells.

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ATP

Adenosine Triphosphate

ATP is the primary energy currency of cells. It provides the energy needed for various cellular processes, such as muscle contraction, protein synthesis, and nerve impulse transmission.

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GTP

Guanosine Triphosphate

GTP is a molecule similar to ATP, involved in various cellular processes, particularly protein synthesis and signal transduction.