ArticleSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy2021
Computational details of molecular structure, spectroscopic properties, topological studies and SARS-Cov-2 enzyme molecular docking simulation of substituted triazolo pyrimidine thione heterocycles.
Article in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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11 citing papers in PubMed, 31 citations in OpenAlex.
- Comprehensive Characterization of Polyphenols from Salvia chudaei: HPLC-PDA Profiling, in vitro Biological Activities, and in silico Enzyme Interactions.The protein journal · 2026Article
- Synthesis, Characterization, and Biological Evaluation of Novel Azo-Based Imidazo[1,2‑ACS omega · 2025Article
- Synthesis, crystal structure, and antiviral evaluation of new imidazopyridine-schiff base derivatives:RSC advances · 2024Article
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- The Synergistic Influence of Polyflavonoids fromPharmaceutics · 2023Article
- A perception into binary and ternary copper (II) complexes: synthesis, characterization, DFT modeling, antimicrobial activity, protein binding screen, and amino acid interaction.BMC chemistry · 2023Article
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- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Synthesis, screening as potential antitumor of new poly heterocyclic compounds based on pyrimidine-2-thiones.BMC chemistry · 2022Article
- DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science.Polymers · 2022Review
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2 authors at 2 institutions in 1 country.
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Abstract
Investigation the molecular structure of the system requires a detailed experience in dealing with theoretical computational guides to highlight its important role. Molecular structure of three heterocyclic compounds 8,10-diphenylpyrido[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thione (HL), 8-phenyl-10-(p-tolyl)pyrido[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thione (CH
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