ArticleHeliyon2018
Discovery of small molecules through pharmacophore modeling, docking and molecular dynamics simulation against
Article in Heliyon, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. It has been retracted, and should not be counted. Cited by 12 papers.
What it found
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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
12 citing papers in PubMed, 25 citations in OpenAlex.
- First Evidence of Anti-Biomedicines · 2025Article
- Bridging drug discovery through hierarchical subtractive genomics against asd, trpG, and secY of pneumonia causing MDR Staphylococcus aureus.Molecular genetics and genomics : MGG · 2024Article
- Drug Development Strategies for Malaria: With the Hope for New Antimalarial Drug Discovery-An Update.Advances in medicine · 2023Review
- Anti-Metabolites · 2022Article
- Identification of Potent and Selective JAK1 Lead Compounds Through Ligand-Based Drug Design Approaches.Frontiers in pharmacology · 2022Article
- Progress and challenges in the use of fluorescence-based flow cytometric assays for anti-malarial drug susceptibility tests.Malaria journal · 2021Review
- Genome-Based Drug Target Identification in Human PathogenFrontiers in genetics · 2021Article
- Inhibition of GSK_3β by Iridoid Glycosides of Snowberry (Frontiers in chemistry · 2021Article
- Discovery of novel L-type voltage-gated calcium channel blockers and application for the prevention of inflammation and angiogenesis.Journal of neuroinflammation · 2020Article
- Discovery of Small-Molecule Activators for Glucose-6-Phosphate Dehydrogenase (G6PD) Using Machine Learning Approaches.International journal of molecular sciences · 2020Article
- Unveiling a New Era in Malaria Therapeutics: A Tailored Molecular Approach Towards the Design of Plasmepsin IX Inhibitors.The protein journal · 2019Article
- Design and Selection of Novel C1s Inhibitors by In Silico and In Vitro Approaches.Molecules (Basel, Switzerland) · 2019Article
Corrections and comments
- Expression of concern · 2021-05-05Concerns/Issues about Data · Concerns/Issues about Third Party Involvement · · see also: https://pubpeer.com/publications/ACF515D2BB1132827433C5F192C9F3
- Erratum issued
- Expression of concern
Authors and funding
2 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Vivapain-3(VP-3) protein is a family of cysteine rich proteases of malaria parasite is extensively reported to participate in a range of wide cellular processes including survival. VP-3 of plasmodium recognized as an attractive drug target in vector-borne diseases like malaria. In the present study we robust a homology model of VP-3 protein and generated the pharmacophore based models adapted to screen the best drug like compounds from PubChem database. Our results finds the fourteen best lead molecules were mapped with core pharmacophore features of VP-3 and top hits were further evaluated by molecular dynamics simulation and docking studies. Based on the molecular dynamics simulation and docking results and binding vicinity of ligand molecules, top five i.e., CID 74427945, CID 74427946, CID 360883, CID193721 and CID 51416859 showed the best docking scores with good molecular interactions against VP-3. Furthermore
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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.