1,088 results on '"Ibrahim"'
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2. Design, synthesis, in vitro, and in silico studies of new thiadiazol derivatives as promising VEGFR-2 inhibitors and apoptosis inducers
3. Integrated in silico and in vitro discovery of a new anticancer thiadiazole analog targeting VEGFR-2
4. Comprehensive structural and functional analysis of Patuletin as a potent inhibitor of SARS-CoV-2 targeting the RNA-dependent RNA polymerases
5. New modified thieno[2,3-d]pyrimidine derivatives as VEGFR-2 inhibitors: Design, synthesis, in vitro anti-cancer evaluation and divers in silico studies
6. New theobromine derivative as apoptotic anti-triple-negative breast cancer targeting EGFR protein: CADD story
7. Fabrication, physicochemical characterization and theoretical studies of some new mixed ligands complexes based on N-(1H-benzimidazol-2-yl)-guanidine and 1, 10-phenanthroline: DNA interaction, biological applications and molecular docking approach
8. Structural diversity, computational outputs, and supramolecular solid-state assemblies in sustaining the coordination chemistry of zinc, cadmium, and mercury dithiocarbamates
9. Efficient synthesis, crystallographic study, antimicrobial activity and in silico studies of novel bioactive α-aminophosphonates based on pyridine moiety
10. Indolyl imine compounds as multi-target agents; synthesis, antidiabetic, anticholinesterase, antioxidant activities and molecular modeling
11. Detailed study of Safranin-O adsorption on sepiolite clay: Kinetics, thermodynamics, isotherms and theoretical calculations for optimal water treatment efficiency
12. Synthesis and antibacterial activities of novel hybrid molecules based on benzothiazole, benzimidazole, benzoxazole, and pyrimidine derivatives, each connected to N-arylacetamide and benzoate groups
13. Rare Earth metal oxide nanoparticle-infused polymer nanocomposites for enhanced supercapacitor electrodes
14. New 1,2,4-triazol-3-one derivatives with 4-fluorobenzene: Synthesis, characterization, DFT, antimicrobial-antiproliferative activities and molecular docking study
15. Synthesis, single crystal XRD, in-vitro, and in-silico studies of polysubstituted tetrahydropyridine as α-amylase inhibitor
16. Comprehensive study for synthesis, antiviral activity, docking and ADME study for the new fluorinated hydrazonal and indeno[1,2-b]pyridine derivatives
17. Synthesis, characterization and antimicrobial activities of some quinoxaline-, naphthalene- and xylene-based macrocyclic compounds
18. Beryllium oxide (Be12O12) as a nanocarrier for cisplatin anticancer drug and some of its analogs: A DFT investigation
19. Synthesis and X-ray characterization of two new 1,4-benzoxazine derivatives: Structural analysis and DFT calculations
20. Synthesis, structural characterization, fukui functions, DFT calculations, molecular docking and biological efficiency of some novel heterocyclic systems
21. Examination of structural and spectrophotometric optical characteristics of nano-like flower quinolinyl carbonyl pyrazole-1-carbodithioate films: a new trend for optoelectronic applications
22. Synthesis, characterization, and biological activity of novel 1,2,4-triazole moieties: Antileishmanial, antimicrobial effects, and molecular docking studies
23. Centrosymmetric homo- and heteroleptic core paddle-wheel copper(II) carboxylates; Syntheses, crystal structures, antioxidant, anticancer and enzyme inhibition activity
24. Glycogen-assisted biosynthesis of MnO2 for adsorptive elimination of methylene blue from water
25. Antimony complexes with SNN thiosemicarbazones: Synthesis, structural studies and cytotoxicity against bacterial and cancer cells
26. Antioxidant effects and potential molecular mechanism of action of Diplocyclos palmatus (L.) C. Jeffrey fruits based on systematic network pharmacology with experimental validation
27. Comprehensive study on pyrano[3,2-c]quinoline-based indole: Synthesis, characterization, and potential for optoelectronic and photovoltaic applications
28. Synthesis of novel 2-mercapto-1,3,4-oxadiazole derivatives as potent urease inhibitors: In vitro and in silico investigations
29. Eco-friendly and efficient sulfamic acid functionalized MIL-53 (Al) nanocomposite for removal of hazardous pollutants from wastewater and catalytic synthesis of 3,4-dihydropyrimidinone pharmacological moiety
30. A comparative study of Fe (II) doped chiral L/D-methionine carbon dots (MCDs) as a “Turn-on” fluorescent probe for the sensitive detection of L – cysteine
31. Structural, theoretical and biological studies on Cu2+ and Co2+ complexes of new thiosemicarbazone ligands
32. Isolation and characterization of novel hydroxyflavone from Kigelia africana (Lam.) Benth. fruit ethyl acetate fraction against CHO 1 and HeLa cancer cell lines: In vitro and in silico studies
33. Multifaceted bioactivity of thiosemicarbazide derivatives: Synthesis, characterization, and DFT investigations on inhibition of α-amylase, hydroxyl radical scavenging, and iron chelating activities with molecular docking insights
34. Crystal structures, electronic spectra and anticancer properties of new azo-azomethines and their nickel(II) and copper(II) chelates
35. In-depth experimental assessment of two new aminocoumarin derivatives as corrosion inhibitors for carbon steel in HCl media combined with AFM, SEM/EDX, contact angle, and DFT/MDs simulations
36. Insights into the role of RAHB and IHB interactions for the structure- Activity relationship of caged xanthone Morellic Acid: Spectroscopic and DFT exploration, molecular docking, and molecular dynamics simulation studies as an Antituberculosis agent
37. Click synthesis, anticancer and molecular docking evaluation of some hexahydro-6H-indolo[2,3-b]quinoxalines incorporated triazole moiety
38. Computational evaluation of the inhibitory potential of some urea, thiourea, and selenourea derivatives of diselenides against leishmaniasis: 2D-QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation
39. Synthesis, molecular docking, and antimicrobial activity of novel scaffolds based on bis(thiazole) linked to 2-phenoxy-N-arylacetamide as new hybrid molecules
40. Design, synthesis, docking study, cytotoxicity evaluation, and PI3K inhibitory activity of Novel di-thiazoles, and bis(di-thiazoles)
41. Pyrazolopyrimidine and 4˗pyrimidylpyrazolone analogues as promising novel sulfa drugs: Design, synthesis, antibacterial, antibiofilm, antiquorum agents, computational details and molecular docking studies
42. TD-DFT calculation, equilibrium and kinetic adsorption study of removal of rose bengal dye by poly vinyl alcohol as a synthetic polymer adsorbent hybrid blend
43. “Stepwise or concerted or a hybrid mechanism for berberine bridge enzyme?”: A computational mechanistic study by QM-MM and QM methods
44. Synthesis, characterization, DFT, biological activity evaluation, and molecular docking analysis of new 8-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid based complexes
45. Integration of chemical characterization, biological activities, and network pharmacology of different extracts from Syzygium rowlandii
46. Adsorption Mechanism Elucidation of Anionic Congo Red onto Modified Magnetic Nanoparticle Structures by Quantum Chemical and Molecular Dynamics
47. Ring opening ring closure reactions with 5,9-diethyl-7-(chromon-3-yl)-7-hydroquinolino[3′,4′:5,6]pyrano[3,2-c]quinoline-6,8(5H,9H)-dione with some 1,2-binucleophiles: Synthesis, characterization, DFT study and biological activity
48. Marihysin B, a new cyclic lipopeptide from culture broth of Staphylococcus sp. - antimicrobial and glucoamylase inhibitory activities
49. Nucleophilic transformation of 3-substituted-6,8-dimethylchromones with phenylhydrazine under various reaction conditions: Theoretical, spectroscopic characterization and in silico ADME studies
50. Supramolecular assembly involving weak hydrogen bonds, anti-parallel π···π stacking and O···C tetrel bonding interactions and LOX studies in a 1H-pyrazol-1-yl)thiazole-4-carboxylate derivative: An experimental and theoretical study
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