ArticleData in brief2020
Dataset on the DFT-QSAR, and docking approaches for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against human esophageal carcinoma (EC-109).
Article in Data in brief, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 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
3 citing papers in PubMed, 21 citations in OpenAlex.
- Antifungal activities of Morinda lucida root extracts against Lasiodiplodia theobromae for post harvest disease management.Scientific reports · 2025Article
- Evaluation of Polar Substituted Schiff Bases and 1,2,3-Triazole Hybrids as Anticancer Agents.Chemistry & biodiversity · 2025Article
- 1,2,3-triazole and chiral Schiff base hybrids as potential anticancer agents: DFT, molecular docking and ADME studies.Scientific reports · 2024Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The investigation of the novel hybrid, 1, 2, 3-triazole moiety combined with pyrimidine derivatives against human esophageal carcinoma is an unexplored field of theoretical/computational chemistry. Also, the development of new drugs still remains a major challenge, cost-intensive and time-consuming, thus making the computational approach now a hot topic due to its ability to hasten up and aid the process of drug designs. Here, the use of the quantum chemical method via density functional theory (DFT) was employed in calculating molecular descriptors for developing the quantitative structure-activity relation (QSAR) model which predicts bioactivity of the selected 1, 2, 3-triazole-pyrimidine derivatives. Quantum chemical method implemented in Spartan 14, was used in calculating the molecular descriptors. The obtained results were imputed into Gretl and SPSS (software package for social sciences) to generate a novel QSAR model equation for human esophageal carcinoma (EC-109) through multiple linear regression. The relationship between the experimental and predicted inhibition efficiency (IC
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.