Computational Drug Discovery Methods

Articles on Scinovex in this research area

59 articles, most cited first · page 1 of 2

1. In silico characterization, homology modelling and structure-based functional annotation of Labeo rohita TLR4 protein
   International Journal of Advanced Biochemistry Research · 2024 · 1 citations · AI summary
2. The impact of computational chemistry on modern drug discovery
   International Journal of Advanced Chemistry Research · 2022 · 1 citations · AI summary
3. Drug reposition of Amoxycillin by molecular docking
   International Journal of Advanced Chemistry Research · 2020 · 1 citations
4. In silico evaluation of Eugenol binding to COX-2 and TRPV1: Supporting traditional use in toothache relief
   International Journal of Advanced Biochemistry Research · 2026 · 0 citations
5. Impact of boron on testosterone and sperm functional parameters in the ovines: A computational and mechanistic perspective
   International Journal of Advanced Biochemistry Research · 2026 · 0 citations
6. Technological advancements in chemical spaces: Outlook on chemoinformatics
   International Journal of Advanced Chemistry Research · 2026 · 0 citations · AI summary
7. Assessment of anti-diabetic molecular docking studies of two foraging fruit berries Morinda citrifolia L. and Morinda tinctoria Roxb. (Rubiaceae)
   International Journal of Biology Sciences · 2026 · 0 citations · AI summary
8. In silico homology modeling and molecular docking analysis of phytochemicals against Haemonchus contortus galectin
   International Journal of Advanced Biochemistry Research · 2026 · 0 citations
9. In silico investigation of phytochemicals present in leaves of Pongamia pinnata as potential VEGFR-2 inhibitors: Integrated ADMET and molecular docking analysis of anti-anigiogenesis based anticancer activity
   International Journal of Biology Sciences · 2026 · 0 citations · AI summary
10. QSAR-based evaluation of novel heterocyclic compounds as potential anticancer agents
    International Journal of Advanced Chemistry Research · 2026 · 0 citations · AI summary
11. Topological descriptor-driven prediction of physicochemical properties of COVID-19 drugs
    International Journal of Statistics and Applied Mathematics · 2026 · 0 citations
12. Medicinal Chemistry Perspectives on Anti-Herpes Simiae Compounds: Structure-Activity Relationships and Rational Drug Design
    International Journal of Advanced Chemistry Research · 2026 · 0 citations · AI summary
13. In silico investigation of green tea (Camellia sinensis) phytochemicals as potential inhibitors of Haemonchus contortus cystatin-1 through Homology Modeling and Molecular Docking
    International Journal of Advanced Biochemistry Research · 2026 · 0 citations
14. Structure-guided discovery and cheminformatics optimization of NLRP3 inflammasome inhibitors for neurodegenerative disease therapeutics
    International Journal of Advanced Biochemistry Research · 2026 · 0 citations
15. Structure-guided cheminformatics optimization of NLRP3 inhibitors based on the NP3-253-NLRP3 complex for potential neurodegenerative disease therapeutics
    International Journal of Advanced Biochemistry Research · 2026 · 0 citations
16. Structure-based design of DYRK1A inhibitors for Alzheimer’s disease
    International Journal of Advanced Biochemistry Research · 2026 · 0 citations
17. Next-generation sequencing and computer-aided drug design for identification of novel therapeutic targets and drug candidates in glioblastoma
    International Journal of Advanced Biochemistry Research · 2026 · 0 citations
18. Innovations in targeted drug delivery: A step towards personalized treatment
    International Journal of Advanced Biochemistry Research · 2025 · 0 citations
19. Safety evaluation of phytophosholipid complexes of quercetin in Gallus gallus domesticus
    International Journal of Advanced Biochemistry Research · 2025 · 0 citations
20. TLC based biochemical diversity analysis among local black turmeric (Curcuma caesia Roxb.) germplasm
    International Journal of Advanced Biochemistry Research · 2025 · 0 citations
21. Quantitative phytochemical screening of some commonly available herbs in Tamil Nadu
    International Journal of Advanced Biochemistry Research · 2025 · 0 citations
22. In silico docking studies of quercetin on triple negative breast cancer receptors
    International Journal of Veterinary Sciences and Animal Husbandry · 2025 · 0 citations
23. Targeting the sars-cov-2 main protease: A mini-review of warheads, p-site design, and lead optimization
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
24. 2DQSPR approach towards the lipophilicity of n-arylhydroxamic acids: A key role of steric and hydrogen bond factors using PLS method
    International Journal of Advanced Chemistry Research · 2025 · 0 citations
25. Enzyme inhibition in drug development: Mechanisms and applications
    International Journal of Biology Sciences · 2025 · 0 citations · AI summary
26. QSAR studies on substituted triazines as potential dihydrofolate reductase inhibitors
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
27. Calorimetric investigation of protein-ligand binding thermodynamics
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
28. Molecular docking and dynamics simulation of flavonoid derivatives against SARS-CoV-2 protease
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
29. Molecular docking and ADMET profiling of novel flavonoid derivatives as potential cyclooxygenase-2 inhibitors
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
30. Molecular docking and ADMET prediction of novel thiazolidinedione derivatives as PPAR-γ agonists
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
31. Pharmacophore modeling and virtual screening for identification of novel antifungal leads
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
32. In silico ADMET prediction and pharmacokinetic profiling of benzoxazole anticancer candidates
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
33. QSAR studies on substituted triazines as potential dihydrofolate reductase inhibitors
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
34. Machine learning-assisted prediction of binding affinity of drug molecules to target proteins
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
35. Computational identification of natural product-based inhibitors of acetylcholinesterase
    International Journal of Advanced Chemistry Research · 2025 · 0 citations · AI summary
36. Machine learning approaches for predicting protein secondary structure from amino acid sequences
    International Journal of Biology Sciences · 2025 · 0 citations · AI summary
37. Network pharmacology and molecular docking analysis of bioactive compounds against SARS-CoV-2 targets
    International Journal of Biology Sciences · 2025 · 0 citations · AI summary
38. Protein-protein interaction networks in signal transduction pathways of insulin resistance
    International Journal of Biology Sciences · 2025 · 0 citations · AI summary
39. Analysis of challenges and applications of recent advances in drug discovery
    International Journal of Advanced Chemistry Research · 2024 · 0 citations · AI summary
40. Biochemical effects of simvastatin on autoimmune arthritis in a mouse induced model
    International Journal of Advanced Biochemistry Research · 2024 · 0 citations
41. Modelling of tuberculosis using structural equations
    International Journal of Agriculture Extension and Social Development · 2024 · 0 citations · AI summary
42. Understanding the biochemical basis of Alzheimer's disease: A clinical chemistry approach
    International Journal of Advanced Chemistry Research · 2024 · 0 citations · AI summary
43. Serum enzyme profiles as predictive biomarkers in acute myocardial infarction: A biochemical perspective
    International Journal of Biology Sciences · 2024 · 0 citations · AI summary
44. Exploring biochemical pathways in the development of novel therapeutic agents
    International Journal of Advanced Biochemistry Research · 2024 · 0 citations
45. Drug-enzyme interaction studies using computational models
    International Journal of Advanced Biochemistry Research · 2024 · 0 citations
46. Structure-activity relationship of novel therapeutics in drug design
    International Journal of Advanced Biochemistry Research · 2024 · 0 citations
47. Computational docking of small molecules to protein targets for drug discovery
    International Journal of Advanced Biochemistry Research · 2024 · 0 citations
48. Computational tools for biochemical pathway analysis
    International Journal of Advanced Biochemistry Research · 2024 · 0 citations
49. In silico drug repurposing using molecular dynamics simulation for neglected tropical diseases
    International Journal of Biology Sciences · 2024 · 0 citations · AI summary
50. Molecular docking and ADMET profiling of flavonoid derivatives as potential inhibitors of cyclooxygenase-2 enzyme
    International Journal of Advanced Chemistry Research · 2024 · 0 citations · AI summary