ArticleJournal of computer-aided molecular design2015
Ultrafast protein structure-based virtual screening with Panther.
Article in Journal of computer-aided molecular design, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed.
- COFFEE-PRESC: A Fast Prescreening Method Using Compound Retrieval by Pairwise Positional Relationship of Representative Fragments.Journal of chemical information and modeling · 2026Article
- Identification of New Lupane-Type Triterpenoids as Inverse Agonists of RAR-Related Orphan Receptor Gamma (RORγ).Journal of natural products · 2025Article
- Building shape-focused pharmacophore models for effective docking screening.Journal of cheminformatics · 2024Article
- Virtual Screening Strategy to Identify Retinoic Acid-Related Orphan Receptor γt Modulators.Molecules (Basel, Switzerland) · 2023Article
- Identification of Novel Ribonucleotide Reductase Inhibitors for Therapeutic Application in Bile Tract Cancer: An Advanced Pharmacoinformatics Study.Biomolecules · 2022Article
- Identification of Potential Cytochrome P450 3A5 Inhibitors: An Extensive Virtual Screening through Molecular Docking, Negative Image-Based Screening, Machine Learning and Molecular Dynamics Simulation Studies.International journal of molecular sciences · 2022Article
- Ligand-Enhanced Negative Images Optimized for Docking Rescoring.International journal of molecular sciences · 2022Article
- Identification of bio-active food compounds as potential SARS-CoV-2 PLpro inhibitors-modulators via negative image-based screening and computational simulations.Computers in biology and medicine · 2022Article
- Optimization of Cavity-Based Negative Images to Boost Docking Enrichment in Virtual Screening.Journal of chemical information and modeling · 2022Article
- Negative Image-Based Screening: Rigid Docking Using Cavity Information.Methods in molecular biology (Clifton, N.J.) · 2021Article
- Negative Image-Based Rescoring: Using Cavity Information to Improve Docking Screening.Methods in molecular biology (Clifton, N.J.) · 2021Article
- A Perspective: Active Role of Lipids in Neurotransmitter Dynamics.Molecular neurobiology · 2020Review
- Screening of Natural Products Targeting SARS-CoV-2-ACE2 Receptor Interface - A MixMD Based HTVS Pipeline.Frontiers in chemistry · 2020Article
- Getting Docking into Shape Using Negative Image-Based Rescoring.Journal of chemical information and modeling · 2019Article
- A Practical Perspective: The Effect of Ligand Conformers on the Negative Image-Based Screening.International journal of molecular sciences · 2019Article
- Blocking oestradiol synthesis pathways with potent and selective coumarin derivatives.Journal of enzyme inhibition and medicinal chemistry · 2018Article
- Prediction Methods of Herbal Compounds in Chinese Medicinal Herbs.Molecules (Basel, Switzerland) · 2018Review
- Discovery of Retinoic Acid-Related Orphan Receptor γt Inverse Agonists via Docking and Negative Image-Based Screening.ACS omega · 2018Article
- Molecular Docking-Based Design and Development of a Highly Selective Probe Substrate for UDP-glucuronosyltransferase 1A10.Molecular pharmaceutics · 2018Article
- Structure-Activity Relationship Analysis of 3-Phenylcoumarin-Based Monoamine Oxidase B Inhibitors.Frontiers in chemistry · 2018Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Molecular docking is by far the most common method used in protein structure-based virtual screening. This paper presents Panther, a novel ultrafast multipurpose docking tool. In Panther, a simple shape-electrostatic model of the ligand-binding area of the protein is created by utilizing the protein crystal structure. The features of the possible ligands are then compared to the model by using a similarity search algorithm. On average, one ligand can be processed in a few minutes by using classical docking methods, whereas using Panther processing takes <1 s. The presented Panther protocol can be used in several applications, such as speeding up the early phases of drug discovery projects, reducing the number of failures in the clinical phase of the drug development process, and estimating the environmental toxicity of chemicals. Panther-code is available in our web pages (http://www.jyu.fi/panther) free of charge after registration.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.