RESEARCH: COVID-19
FOLDING PROJECT #16608 PROFILE

This project uses computer simulations to study how SARS-CoV-2's nsp12 and nsp14 proteins work. They want to find existing drugs that 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. 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. 16608: RdRp and helicase of SARS-CoV-2 in complex with dsRNA 16609: RdRp and helicase of SARS-CoV-2 in complex with dsRNA.

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Nonstructural protein 12

A protein essential for viral replication.

Nonstructural protein 12 (nsp12) is a key enzyme in the SARS-CoV-2 virus. It's responsible for copying the virus's RNA, which is crucial for making new copies of the virus.

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Nonstructural protein 14

A protein involved in proofreading viral RNA replication.

Nonstructural protein 14 (nsp14) acts like a quality control mechanism for the SARS-CoV-2 virus. It helps ensure that the newly made copies of the virus's RNA are accurate.

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RdRp

RNA-dependent RNA polymerase

RdRp is a type of enzyme that copies RNA. It's essential for viruses like SARS-CoV-2 to replicate their genetic material.

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Helicase

An enzyme that unwinds DNA or RNA.

Helicases are like molecular zippers, separating the two strands of DNA or RNA. This is important for many processes within cells, including viral replication.

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dsRNA

Double-stranded RNA

dsRNA is a type of RNA molecule that consists of two strands. It's often involved in viral replication and can trigger immune responses.

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Cladribine

A synthetic nucleoside analog used to treat multiple sclerosis.

Cladribine is a medication that works by interfering with the activity of certain immune cells. It's primarily used to manage multiple sclerosis but has also been investigated for its potential antiviral properties.

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Ribirine

A nucleoside analog used in the treatment of certain viral infections.

Ribirine is a drug that works by interfering with the replication process of viruses. It's been used to treat various viral infections and is structurally similar to other antiviral medications.

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NTP analog

A molecule that mimics the structure of nucleotides (building blocks of DNA and RNA) and can interfere with viral replication.

NTP analogs are drugs designed to disrupt the replication process of viruses. They resemble the building blocks of genetic material but cannot be properly incorporated into new viral DNA or RNA, halting replication.