142 results on '"Ibrahim, Muhammad Tukur"'
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2. Biological activity, chemical composition, and molecular docking of Eugenia punicifolia (Kunth) DC
3. DFT studies on structure, electronics, bonding nature, NBO analysis, thermodynamic properties, molecular docking, and MM-GBSA evaluation of 4-methyl-3-[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid: a potent inhibitor of Graves’ disease
4. Structure-Based Design of Potential Anti-schistosomiasis Agent Targeting SmHDAC8: An In Silico Approach Utilizing QSAR, MD Simulation and ADMET Prediction
5. Unveiling 1,3-Thiazine Derivative as a Potential Neuraminidase Inhibitor: Molecular Docking, Molecular Dynamics, ADMET and DFT Studies
6. Investigation of Novel Imidazole Analogues with Terminal Sulphonamides as Potential V600E-BRAF Inhibitors Through Computational Approaches
7. In-silico exploration and structure-based design of Praziquantel derivatives as potential inhibitors of schistosoma mansoni Glutathione S-transferase (SmGST)
8. Evaluation of novel Anti-SARS-CoV-2 compounds by targeting nucleoprotein and envelope protein through homology modeling, docking simulations, ADMET, and molecular dynamic simulations with the MM/GBSA calculation
9. Towards designing of some potential new autoimmune disorder inhibitors using crystal structures and Hirshfeld surface analyses in combination with molecular docking and molecular dynamics simulations
10. Molecular docking studies of some benzoxazole and benzothiazole derivatives as VEGFR-2 target inhibitors: In silico design, MD simulation, pharmacokinetics and DFT studies
11. Modelling of novel bornoel analogs as Influenza A Virus inhibitors through genetic function approximation, comparative molecular fields, molecular docking, and ADMET/Pharmacokinetic studies
12. In silico screening, pharmacokinetic, DFT, and dynamics simulation study of ant-hepatitis C virus compounds as potential NS5B Polymerase inhibitors
13. Design of some potent non-toxic Autoimmune disorder inhibitors based on 2D-QSAR, CoMFA, molecular docking, and molecular dynamics investigations
14. Chemical bioinformatics study of Nonadec-7-ene-4-carboxylic acid derivatives via molecular docking, and molecular dynamic simulations to identify novel lead inhibitors of hepatitis c virus NS3/4a protease
15. 3D-QSAR, homology modelling of influenza hemagglutinin receptor (StrainA/WS/1933), molecular dynamics, DFT, and ADMET studies for newly designed inhibitors
16. Cheminformatics study of some indole compounds through QSAR modeling, ADME prediction, molecular docking, and molecular dynamic simulation to identify novel inhibitors of HCV NS5B protease
17. Computational modelling of some phenolic diterpenoid compounds as anti-influenza A virus agents
18. In-silico design of novel 2-((4-chloro-6-methoxy-1H-indol-3-yl)thio)-N-(2-ethoxyphenyl)acetamide derivatives as potential inhibitors of influenza neuraminidase protein receptor
19. In silico design and pharmacokinetics investigation of some novel hepatitis C virus NS5B inhibitors: pharmacoinformatics approach
20. Salicylic acid derivatives as potential α-glucosidase inhibitors: drug design, molecular docking and pharmacokinetic studies
21. Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions
22. Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics predictions.
23. Molecular modelling studies of substituted indole derivatives as novel influenza a virus inhibitors
24. Multi-protein targeting potential of some urea, thiourea, and selenourea derivatives of diselenides in leishmaniasis: molecular docking screening, oral bioavailability analysis, ADMET profiling, and molecular dynamics simulation
25. Towards designing of some potential new autoimmune disorder inhibitors using crystal structures and Hirshfeld surface analyses in combination with molecular docking and molecular dynamics simulations
26. Modelling of novel bornoel analogs as influenza a virus inhibitors through genetic function approximation, comparative molecular fields, molecular docking, and ADMET/Pharmacokinetic studies
27. Structure-based design and activity modeling of novel epidermal growth factor receptor kinase inhibitors; an in silico approach
28. In-silico molecular modelling studies of some camphor imine based compounds as anti-influenza A (H1N1) pdm09 virus agents.
29. Lead Identification of Some Anti-Cancer Agents with Prominent Activity Against Non-small Cell Lung Cancer (NSCLC) and Structure-Based Design
30. Computer-aided design of some quinazoline analogues as epidermal growth factor receptor inhibitors
31. Chemo-informatics activity prediction, ligand based drug design, Molecular docking and pharmacokinetics studies of some series of 4, 6-diaryl-2-pyrimidinamine derivatives as anti-cancer agents
32. Design of more potent quinazoline derivatives as EGFRWT inhibitors for the treatment of NSCLC: a computational approach
33. Computational modeling of novel quinazoline derivatives as potent epidermal growth factor receptor inhibitors
34. In-silico activity prediction and docking studies of some 2, 9-disubstituted 8-phenylthio/phenylsulfinyl-9h-purine derivatives as Anti-proliferative agents
35. In-silico modelling studies on some C14-urea-tetrandrine derivatives as potent anti-cancer agents against prostate (PC3) cell line
36. In-silico studies of some oxadiazoles derivatives as anti-diabetic compounds
37. Structure-Based Design of Potential Anti-schistosomiasis Agent Targeting SmHDAC8: An In Silico Approach Utilizing QSAR, MD Simulation and ADMET Prediction
38. Retraction notice to “In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions” [Heliyon 8, 2022 Article e10101]
39. Structure-based drug design, molecular dynamics simulation, ADMET, and quantum chemical studies of some thiazolinones targeting influenza neuraminidase.
40. In-silico molecular modelling studies of some camphor imine based compounds as anti-influenza A (H1N1) pdm09 virus agents
41. Structure-based design of some quinazoline derivatives as epidermal growth factor receptor inhibitors
42. Quantitative structure-activity relationship, molecular docking, drug-likeness, and pharmacokinetic studies of some non-small cell lung cancer therapeutic agents
43. Computational virtual screening and structure-based design of some epidermal growth factor receptor inhibitors
44. Theoretical validation of some third-generation epidermal growth factor receptor (EGFR) Inhibitors as non-small cell lung cancer (NSCLC) drugs
45. Pharmacoinformatics-based strategy in designing and profiling of some Pyrazole analogues as novel hepatitis C virus inhibitors with pharmacokinetic analysis
46. Biological activity, chemical composition, and molecular docking of Eugenia punicifolia(Kunth) DC
47. Investigation of Novel Imidazole Analogues with Terminal Sulphonamides as Potential V600E-BRAFInhibitors Through Computational Approaches
48. Theoretical investigation and design of some indole derivatives as potent β-glucuronidase inhibitors
49. Computer-aided molecular modeling studies of some 2, 3-dihydro-[1, 4] dioxino [2, 3-f] quinazoline derivatives as EGFRWT inhibitors
50. QSAR, molecular docking, and design of novel 4-(N,N-diarylmethyl amines) Furan-2(5H)-one derivatives as insecticides against Aphis craccivora
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