Related Experiment Video

Updated: Dec 15, 2025

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
05:50

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro

Published on: September 26, 2025

1.1K

Computer modeling of a potential agent against SARS-Cov-2 (COVID-19) protease

Arthur M Lesk1, Arun S Konagurthu2, Lloyd Allison2

  • 1Department of Biochemistry and Molecular Biology, Pennsylvania State University, University Park, Pennsylvania, USA.

Proteins
|July 15, 2020
PubMed

Abstract:

We have modeled modifications of a known ligand to the SARS-CoV-2 (COVID-19) protease, that can form a covalent adduct, plus additional ligand-protein hydrogen bonds.

Keywords:
COVID-19active-site ligandmodeling

More Related Videos

Engineering Antiviral Agents via Surface Plasmon Resonance
13:00

Engineering Antiviral Agents via Surface Plasmon Resonance

Published on: June 14, 2022

2.6K
A Fluorogenic Peptide Cleavage Assay to Screen for Proteolytic Activity: Applications for coronavirus spike protein activation
07:53

A Fluorogenic Peptide Cleavage Assay to Screen for Proteolytic Activity: Applications for coronavirus spike protein activation

Published on: January 9, 2019

33.6K

Related Experiment Videos

Last Updated: Dec 15, 2025

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
05:50

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro

Published on: September 26, 2025

1.1K
Engineering Antiviral Agents via Surface Plasmon Resonance
13:00

Engineering Antiviral Agents via Surface Plasmon Resonance

Published on: June 14, 2022

2.6K
A Fluorogenic Peptide Cleavage Assay to Screen for Proteolytic Activity: Applications for coronavirus spike protein activation
07:53

A Fluorogenic Peptide Cleavage Assay to Screen for Proteolytic Activity: Applications for coronavirus spike protein activation

Published on: January 9, 2019

33.6K

Related Concept Videos

Molecular Models02:00

Molecular Models

43.1K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
43.1K
Conjugated Proteins02:50

Conjugated Proteins

25.3K
Simple proteins and protein complexes contain only amino acids. In contrast, many other proteins, called conjugated proteins, covalently bond with non-protein moieties.
Nucleoproteins are protein complexes that contain nucleic acids, categorized as deoxyribonucleoproteins (DNPs) or ribonucleoproteins (RNPs) respectively. The nucleosome is a typical example of a DNP where nuclear DNA is associated with histone proteins. The major antigen for the Covid-19 virus SARS-CoV is an RNP that is critical...
25.3K

Articles linked to this work by shared authors, journal, and citation graph.

Rapidly Mapping Exposure Research Following the 2025 LA County Wildfires: A Public Health Extreme Event Research (PHEER) Network Response.

Disaster medicine and public health preparedness·2026

Refractory Tumorous and Neurodegenerative Histiocytosis Treated With Intra-Arterial Chemotherapy.

Neurology(R) neuroimmunology & neuroinflammation·2025

Hurricane Exposure and Risk of Long-Term Cardiovascular Disease Outcomes.

JAMA network open·2025

Long-term impacts of hurricanes on mortality among Medicare beneficiaries: evidence from Hurricane Sandy.

Frontiers in public health·2025

Acoustic-to-hyper-spectral: real-time perimeter intrusion detection system monitoring through learnable filters and hyper-spectral image generation from distributed acoustic sensing systems.

Optics express·2025

Peer-to-Peer Mental Health Training: A National Model for Peer Support for Medical and Dental Students.

MedEdPORTAL : the journal of teaching and learning resources·2025

The Histidine 382 Residue Influences the Thermal Stability and Binding Propensity of the E2 Domain of Amyloid Precursor Protein.

Proteins·2026

Structural Determinants of Zn2+ Potentiation of Gingipain B Inhibition of Porphyromonas gingivalis by Compounds With the Benzamidine Group: A Computational Study.

Proteins·2026

Theoretical Analysis of Androstenone Adsorption on Chimpanzee and Gorilla Olfactory Receptors (G-Protein): Statistical Physics Modeling, Molecular Docking Simulation, and Thermodynamic Investigation.

Proteins·2026

Protonation Based Molecular Mechanism Behind Rv0191 Efflux Transporter Conferring Pyrazinamide Resistance in Mycobacterium tuberculosis.

Proteins·2026

Unified Sampling and Ranking for Protein Docking With DFMDock.

Proteins·2026

Structural and Functional Roles of Arg85-Mediated Inter-Motif Interactions in Human dUTPase.

Proteins·2026

Prediction of bile salt export pump inhibition using biomimetic chromatographic descriptors: Integrating membrane affinity and protein binding.

ADMET & DMPK·2026

Facile synthesis of amorphous coordinated metal-drug frameworks for cancer immunotherapy.

Materials today. Bio·2026

Sex- and APOE-specific transcriptomic drug repurposing identifies four candidate therapeutics for Alzheimer's disease.

Alzheimer's & dementia (New York, N. Y.)·2026

Pharmacophore-guided computational profiling of thiadiazole-based therapeutic addressing flap necrosis: Molecular simulation, DFT mapping, pharmacokinetic and kinetic evaluation.

Computational biology and chemistry·2026

An HBT-based "off-on" fluorescent probe for direct detection of methyl parathion in environmental water and Chinese medicine samples.

RSC advances·2026

AI Structural Biology in Nephrology: Powerful Scaffolds, Fragile Certainties.

Journal of the American Society of Nephrology : JASN·2026
See all related articles
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies
Jove
Visualize
Contact Us