ArticleAdvances and applications in bioinformatics and chemistry : AABC2021
In silico Molecular Docking, DFT Analysis and ADMET Studies of Carbazole Alkaloid and Coumarins from Roots of
Article in Advances and applications in bioinformatics and chemistry : AABC, 2021. 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
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
19 citing papers in PubMed, 77 citations in OpenAlex.
- Cyclin-dependent kinase-inhibitor screening and structural analysis identify a CDK-like kinase candidate in Naegleria fowleri.Parasites & vectors · 2026Article
- In silico prediction, molecular docking, and dynamics analysis of steroidal alkaloids from the genus Fritillaria: implications for designing novel antiparkinsonian therapeutic strategies.Scientific reports · 2026Article
- In silico assessment of 4 methoxypelargonidin and luteolinidin from Parthenium hysterophorous as acetylcholinesterase inhibitors of Phlebotomus Papatasi.Scientific reports · 2026Article
- Design, Synthesis, SwissADME Profile DFT Studies,Current medicinal chemistry · 2026Article
- Integrative investigation on Hippocratea africana root: insights from cardio-protective, anti-oxidative stress activities, isolation, GC/MS, and pharmacological significance profiling.BMC complementary medicine and therapies · 2025Article
- Assessment of the Anti-adipogenic Effect ofCurrent pharmaceutical biotechnology · 2025Article
- New 3-Hydroxypyridine-4-one Analogues: Their Synthesis, Antimicrobial Evaluation, Molecular Docking, andMedicinal chemistry (Shariqah (United Arab Emirates)) · 2024Article
- Article
- Recent synthetic strategies for the construction of functionalized carbazoles and their heterocyclic motifs enabled by Lewis acids.RSC advances · 2023Review
- Molecular docking analysis of Indole based diaza-sulphonamides with JAK-3 protein.Bioinformation · 2023Article
- Molecular docking analysis of a virulence factor protein dentilisin fromBioinformation · 2023Article
- Virtual Screening, Synthesis, and Biological Evaluation of Some Carbohydrazide Derivatives as Potential DPP-IV Inhibitors.Molecules (Basel, Switzerland) · 2022Article
- Discovery of Phenylcarbamoylazinane-1,2,4-Triazole Amides Derivatives as the Potential Inhibitors of Aldo-Keto Reductases (AKR1B1 & AKRB10): Potential Lead Molecules for Treatment of Colon Cancer.Molecules (Basel, Switzerland) · 2022Article
- GC-MS Profiling, Vibriocidal, Antioxidant, Antibiofilm, and Anti-Quorum Sensing Properties ofPlants (Basel, Switzerland) · 2022Article
- Synthesis, Characterization, and Biological Activities of Novel Vanadium(IV) and Cobalt(II) Complexes.ACS omega · 2022Article
- Article
- Synthesis, antibacterial and antioxidant activities of Thiazole-based Schiff base derivatives: a combined experimental and computational study.BMC chemistry · 2021Article
- Antimicrobial Activity, in silico Molecular Docking, ADMET and DFT Analysis of Secondary Metabolites from Roots of Three Ethiopian Medicinal Plants.Advances and applications in bioinformatics and chemistry : AABC · 2021Article
- Screening of Anti-Lipase Components ofFrontiers in pharmacology · 2021Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
introductionIn modern drug design, in silico methods are largely used to understand drug-receptor interactions and quantum chemical properties. In the present study, a computational de novo design approach was used to confirm mode of binding for antibacterial activity, elucidating quantum chemical properties and ADMET-drug-likeness of carbazole alkaloid (
methodsDocking studies were performed with DNA-Gyrase (6F86) and LasR binding domain (2UV0) employing a flexible ligand docking approach using AutoDock Vina. SwissADME prediction and toxicological predictions were performed by ADMET. The optimized structures and molecular electrostatic potential surface of the isolated compounds were predicted by DFT analysis using B3LYP/6-31G basis levels. RESULTS AND DISCUSSION: The docking results revealed that compound
conclusionOverall, compound
Indexed as
Identifiers
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.