ArticleJournal of microbiology (Seoul, Korea)2020
User guide for the discovery of potential drugs via protein structure prediction and ligand docking simulation.
Article in Journal of microbiology (Seoul, Korea), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
What it found
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Who cites it
19 citing papers in PubMed, 52 citations in OpenAlex.
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- Antimicrobial Peptides: The Game-Changer in the Epic Battle Against Multidrug-Resistant Bacteria.Pharmaceuticals (Basel, Switzerland) · 2024Review
- Therapeutic potential ofHeliyon · 2024Article
- Exploring the diversity of microbes and natural products from fungus-growing termite tripartite symbiosis.Engineering microbiology · 2024Review
- Automation of Drug Discovery through Cutting-edgeCurrent computer-aided drug design · 2024Review
- In Silico and In Vitro Studies of Antibacterial Activity of Cow Urine Distillate (CUD).Evidence-based complementary and alternative medicine : eCAM · 2024Article
- Isolation, Identification, and Antibacterial Properties of Prodigiosin, a Bioactive Product Produced by a NewAntibiotics (Basel, Switzerland) · 2023Article
- Targeting SARS-CoV-2 non-structural protein 13 via helicase-inhibitor-repurposing and non-structural protein 16 through pharmacophore-based screening.Molecular diversity · 2023Article
- Concatenation of molecular docking and molecular simulation of BACE-1, γ-secretase targeted ligands: in pursuit of Alzheimer's treatment.Annals of medicine · 2021Article
- Spike protein recognizer receptor ACE2 targeted identification of potential natural antiviral drug candidates against SARS-CoV-2.International journal of biological macromolecules · 2021Article
- High-Throughput Screening and Molecular Dynamics Simulation of Natural Product-like Compounds against Alzheimer's Disease through Multitarget Approach.Pharmaceuticals (Basel, Switzerland) · 2021Article
- Omics-based microbiome analysis in microbial ecology: from sequences to information.Journal of microbiology (Seoul, Korea) · 2021Article
- Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein.Scientific reports · 2021Article
- Rediscovery of antimicrobial peptides as therapeutic agents.Journal of microbiology (Seoul, Korea) · 2021Review
- Structure-basedComputational and structural biotechnology journal · 2021Review
- User guides for biologists to learn computational methods.Journal of microbiology (Seoul, Korea) · 2020Article
Corrections and comments
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Authors and funding
6 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Due to accumulating protein structure information and advances in computational methodologies, it has now become possible to predict protein-compound interactions. In biology, the classic strategy for drug discovery has been to manually screen multiple compounds (small scale) to identify potential drug compounds. Recent strategies have utilized computational drug discovery methods that involve predicting target protein structures, identifying active sites, and finding potential inhibitor compounds at large scale. In this protocol article, we introduce an in silico drug discovery protocol. Since multi-drug resistance of pathogenic bacteria remains a challenging problem to address, UDP-N-acetylmuramate-L-alanine ligase (murC) of Acinetobacter baumannii was used as an example, which causes nosocomial infection in hospital setups and is responsible for high mortality worldwide. This protocol should help microbiologists to expand their knowledge and research scope.
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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.