Virtual screening of molecular databases for potential inhibitors of the NSP16/NSP10 methyltransferase from SARS-CoV-2

Review Biochemistry & Molecular Biology

Coronaviral RNA-methyltransferases: function, structure and inhibition

Radim Nencka et al.

Summary: This article critically summarizes the tremendous advancements in the field of coronaviral MTases since the beginning of the COVID-19 pandemic, including structural elucidation and the discovery of inhibitors.

NUCLEIC ACIDS RESEARCH (2022)

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Review Pharmacology & Pharmacy

Drug combination therapy for emerging viral diseases

Zeenat A. Shyr et al.

Summary: Combination therapy has been successful in treating chronic viral infections, improving clinical outcomes and reducing viral load and mortality. For emerging and re-emerging viral infections, drug combinations can enhance therapeutic efficacy through additive and synergistic effects.

DRUG DISCOVERY TODAY (2021)

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Review Surgery

Impact of the coronavirus (COVID-19) pandemic on scientific research and implications for clinical academic training-A review

Catrin Sohrabi et al.

Summary: The outbreak of COVID-19 caused by the novel coronavirus has had a significant impact on global scientific research and academic training, leading to a surge in infections and deaths, challenges faced by trainees, closure of institutions and laboratories, financial strains on research charities, but also witnessing increased international collaboration and rise of remote communication platforms in the scientific community.

INTERNATIONAL JOURNAL OF SURGERY (2021)

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Article Biochemistry & Molecular Biology

Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro

Rai C. Silva et al.

Summary: This study analyzed the pharmacokinetic and toxicological properties of natural products from Brazil's semiarid region, and identified ten potential compounds for treating COVID-19 through molecular simulation. Among them, two compounds (b01 and b02) showed better potential and warrant further investigation.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)

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Article Biochemical Research Methods

A High-Throughput RNA Displacement Assay for Screening SARS-CoV-2 nsp10-nsp16 Complex toward Developing Therapeutics for COVID-19

Sumera Perveen et al.

Summary: The study presents a fluorescence polarization-based RNA displacement assay for the nsp10-nsp16 complex, suitable for high-throughput screening. Through purification of the complex, confirmation of binding using isothermal titration calorimetry, and validation with a library of drug-like compounds, the assay was shown to be a cost-effective method for screening potential RNA competitive inhibitors for the development of COVID-19 therapeutics.

SLAS DISCOVERY (2021)

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Article Biophysics

SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential

Neha Vithani et al.

Summary: Coronaviruses, including SARS-CoV2, SARS-CoV1, and MERS, employ multiple proteins for viral replication and immune evasion. Nsp16, a key protein in immune evasion, relies on its binding partner Nsp10 for activation. Researchers have identified a cryptic pocket in Nsp16 that may serve as a target for developing pan-coronavirus antivirals.

BIOPHYSICAL JOURNAL (2021)

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Article Chemistry, Medicinal

Potent SARS-CoV-2 mRNA Cap Methyltransferase Inhibitors by Bioisosteric Replacement of Methionine in SAM Cosubstrate

Olga Bobileva et al.

Summary: This study designed potential SARS-CoV-2 MTase Nsp14 and Nsp16 inhibitors by using bioisosteric substitution of the cosubstrate SAM. Testing showed good inhibitory activity of five compounds. However, poor cell permeability was observed for all evaluated compounds.

ACS MEDICINAL CHEMISTRY LETTERS (2021)

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Article Chemistry, Medicinal

The Structure-Based Design of SARS-CoV-2 nsp14 Methyltransferase Ligands Yields Nanomolar Inhibitors

Tomas Otava et al.

Summary: The study focused on the design of inhibitors for SARS-CoV-2 nsp14 using a homology model based on its high similarity to SARS-CoV nsp14. The synthesized SAH derivatives showed unprecedented inhibitory activity against the crucial enzyme, with docking studies explaining their mechanism of action.

ACS INFECTIOUS DISEASES (2021)

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Article Multidisciplinary Sciences