ArticleScientific reports2024
In silico and in vitro prediction of new synthesized N-heterocyclic compounds as anti-SARS-CoV-2.
Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Machine Learning-Driven Discovery of Novel HER2 Inhibitors Through Integrated Virtual Screening and Molecular Dynamics Simulations.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Computational characterization of GRP78 binding sites on mitochondrial GPX4: implications for targeting ferroptosis in triple-negative breast cancer.Scientific reports · 2026Article
- Chromene-Thiazole Derivatives as Potential SARS-CoV‑2 MACS omega · 2025Article
- Decoding GuaB: Machine Learning-Powered Discovery of Enzyme Inhibitors Against the SuperbugPharmaceuticals (Basel, Switzerland) · 2025Article
- Synthesis and characterization of FeCuAlOScientific reports · 2025Article
- Proteomics and Metabolomics Profiles of Unvaccinated Nonagenarian Patients with Severe SARS-CoV-2 Infection.Journal of proteome research · 2025Article
- Integrating Multi-Domain Approach for Identification of Neo Anti-DHPS Inhibitors Against PathogenicBiology · 2025Article
- Targeting SARS-CoV-2 main protease: a pharmacophore and molecular modeling approach.Journal of molecular modeling · 2025Article
- Vistas in the domain of 3-acetyl-4-hydroxy-2-quinolinone derivatives (AHQ) and their applications.RSC advances · 2025Review
- Computational identification of aspartic protease inhibitors for antimalarial drug development against Plasmodium Vivax.Scientific reports · 2025Article
- Computational and In silico study of novel fungicides against combating root rot, gray mold, fusarium wilt, and cereal rust.PloS one · 2025Article
- Molecular docking and molecular dynamics simulation studies of thiazole-coumarin and thiazole-triazole conjugates against MIn silico pharmacology · 2025Article
- 2-Amino-Molecules (Basel, Switzerland) · 2024Article
- Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Approach of a New Pyrazolo[3,4-ACS omega · 2024Article
- Computational screening combined with well-tempered metadynamics simulations identifies potential TMPRSS2 inhibitors.Scientific reports · 2024Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Computer-aided drug design has been employed to get the medicinal effects against Corona virus from different pyridine derivatives after synthesizing the new compounds. Additionally, various computational studies are also employed between the newly prepared pyridine derivatives and three controls against three proteins (6Y2E, 6M71 and 6M3M). Different methods were employed to synthesize new pyridine derivatives according to the literature using different reaction mediums. MTT was performed for cytotoxicity study and IC
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