Folding project #16605, COVID-19 research

Research section Research projects and references

Project #16605 overview

Project Summary AI Beta

This project uses computer simulations to study how certain drugs can block the replication of the SARS-CoV-2 virus. They're focusing on proteins nsp12, nsp14, and nsp10, which play key roles in viral reproduction. The project aims to identify existing medications that could be repurposed to fight COVID-19.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Prof. Xuhui Huang
Institution: Hong Kong University of Science and Technology

Work unit

Atoms: 208,201
Core: OPENMM_22
Status: Public

Source material

Official Project Description

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.

Reading reference

Related Terms Glossary AI Beta

Automated high-level definitions; simplified and may not be fully accurate.

Nonstructural protein 12

A viral protein essential for RNA replication.

Technical: BiotechnologyVirus Replication / SARS-CoV-2

Nonstructural protein 12 (nsp12) is a vital component of the SARS-CoV-2 virus responsible for replicating its genetic material. It's like a tiny machine that makes copies of the virus's RNA, allowing it to spread and infect more cells.

Nonstructural protein 14

A viral protein involved in proofreading RNA replication.

Technical: BiotechnologyVirus Replication / SARS-CoV-2

Nonstructural protein 14 (nsp14) plays a crucial role in ensuring the accuracy of RNA replication within the SARS-CoV-2 virus. It acts like a quality control mechanism, checking for and correcting errors during the copying process.

SARS-CoV-2

Severe Acute Respiratory Syndrome Coronavirus 2

Scientific: MedicineViral Infections / COVID-19

SARS-CoV-2 is the virus responsible for causing COVID-19, a respiratory illness that can range from mild to severe. It's highly contagious and spreads primarily through respiratory droplets.

NTP analog drugs

Drugs that mimic the structure of nucleoside triphosphates (NTPs), which are building blocks for viral RNA.

Technical: PharmacologyDrug Discovery / Antiviral Drugs

NTP analog drugs are a type of antiviral medication that work by interfering with the virus's ability to replicate its genetic material. They resemble the natural building blocks of viral RNA and can disrupt the replication process.

Ribirine

A nucleoside analog with antiviral activity.

Technical: PharmacologyDrug Discovery / Antiviral Drugs

Ribirine is a compound that has been shown to have antiviral properties. It can interfere with the replication of certain viruses by inhibiting key enzymes involved in the process.

FDA-approved

Drugs that have been reviewed and approved for safety and effectiveness by the US Food and Drug Administration.

Regulatory: MedicineDrug Development / Pharmaceutical Regulations

FDA-approved medications have undergone rigorous testing and evaluation to ensure they are safe and effective for treating specific medical conditions. This approval process is crucial for protecting public health.

Repurpose drugs

To use existing drugs for new medical applications.

Technical: MedicineDrug Development / Pharmacotherapy

Repurposing drugs involves finding new uses for medications that have already been approved for other conditions. This can be a faster and more cost-effective approach to developing new treatments.

Inhibit

To hinder or reduce the activity of.

Technical: MedicineDrug Action / Pharmacology

Inhibiting a process means slowing it down or preventing it from happening. In medicine, drugs are often designed to inhibit specific targets, such as enzymes or proteins, to treat diseases.

GPU PPD Averages

Rank Project	Model Name Folding@Home Identifier	Make Brand	GPU Model	PPD Average	Points WU Average	WUs Day Average	WU Time Average
1	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	4,101,103	403,427	10.17	2 ^hrs 22 ^mins

Research: COVID-19 Folding Project #16605

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 16605

GPU PPD Averages

Research: COVID-19 Folding Project #16605

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages