ArticleBiology2021
Molecular Docking and Dynamics Simulation Study of
Article in Biology, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 35 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
35 citing papers in PubMed.
- Structure-Based Design, Synthesis, and Biological Evaluation of Oxadiazole-Morpholine Hybrids as Potent PARP-1 Inhibitors Inducing Apoptosis in Breast Cancer Cells.Drug development research · 2026Article
- Exploring market-approved azoles as potential breast cancer therapeutics targeting the VEGFR-2 biotarget.Scientific reports · 2025Article
- Identification of potential natural BCL-2 inhibitors for leukemia through an integrated virtual screening approach.BMC pharmacology & toxicology · 2025Article
- Ellagic acid mediates cardioprotection against adrenaline-induced toxicity via PI3K/AKT and Keap1-NRF2 axes.Scientific reports · 2025Article
- Quercetin and Its Structural Analogs as NUDT5 Inhibitors: A Preliminary In Silico Study.International journal of molecular sciences · 2025Article
- Nanocomposite alginate hydrogel loaded with propranolol hydrochloride kolliphorDrug delivery and translational research · 2025Article
- Article
- Chitosan decorated oleosomes loaded propranolol hydrochloride hydrogel repurposed forNanomedicine (London, England) · 2024Article
- Bioinformatics approach for structure modeling, vaccine design, and molecular docking of Brucella candidate proteins BvrR, OMP25, and OMP31.Scientific reports · 2024Article
- Unveiling the Multifaceted Capabilities of EndophyticPharmaceuticals (Basel, Switzerland) · 2024Article
- Article
- β-keto amyrin isolated from Cryptostegia grandiflora R. br. inhibits inflammation caused by Daboia russellii viper venom: Direct binding of β-keto amyrin to phospholipase AToxicon : official journal of the International Society on Toxinology · 2024Article
- Unraveling Extremely DamagingJournal of personalized medicine · 2023Article
- Molecular Docking and Molecular Dynamics Simulations in Related toTropical medicine and infectious disease · 2023Review
- Deciphering Molecular Aspects of PotentialMetabolites · 2023Article
- Article
- Integration of Chemoinformatics and Multi-Omics Analysis Defines ECT2 as a Potential Target for Cancer Drug Therapy.Biology · 2023Article
- Molecular and Biological Investigation of Isolated Marine Fungal Metabolites as Anticancer Agents: A Multi-Target Approach.Metabolites · 2023Article
- Integration of immunoinformatics and cheminformatics to design and evaluate a multitope vaccine againstFrontiers in molecular biosciences · 2023Article
- Atomistic simulations suggest dietary flavonoids from Beta vulgaris (beet) as promising inhibitors of human angiotensin-converting enzyme and 2-alpha-adrenergic receptors in hypertension.Bioinformatics advances · 2023Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
10 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Presently, the world is under the toll of pandemic coronavirus disease-2019 (COVID-19) outbreak caused by SARS-CoV-2. Lack of effective and safe therapeutics has stressed the scientific community for developing novel therapeutics capable of alleviating and stopping this pandemic. Within the presented study, molecular docking, ADME properties and all-atom molecular dynamic (MD) simulation, along with two standard antiviral agents (lopinavir and benzopurpurin-4B), were applied to investigate 15 scalaranes sesterterpenes natural compounds, purified from the Red Sea marine sponge
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What OpenQuestion holds
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.