| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Catalyst-free synthesis of acenaphthoindolopyrimidine derivatives
|
Kakavand, Nahale
|
|
|
27 |
4 |
p. 1785-1793
|
artikel
|
| 2 |
Chemical similarity of molecules with physiological response
|
Redžepović, Izudin
|
|
|
27 |
4 |
p. 1603-1612
|
artikel
|
| 3 |
Computational design of PD-L1 small molecule inhibitors for cancer therapy
|
Chandrasekaran, Jaikanth
|
|
|
27 |
4 |
p. 1633-1644
|
artikel
|
| 4 |
Computational studies indicated the effectiveness of human metabolites against SARS-Cov-2 main protease
|
Roy, Rajarshi
|
|
|
27 |
4 |
p. 1587-1602
|
artikel
|
| 5 |
Design and synthesis of benzimidazole derivatives as apoptosis-inducing agents by targeting Bcl-2 protein
|
Ilhan, Suleyman
|
|
|
27 |
4 |
p. 1703-1712
|
artikel
|
| 6 |
Design, combinatorial synthesis and cytotoxic activity of 2-substituted furo[2,3-d]pyrimidinone and pyrrolo[2,3-d]pyrimidinone library
|
Song, Buer
|
|
|
27 |
4 |
p. 1767-1783
|
artikel
|
| 7 |
Designing a novel SOX9 based multi-epitope vaccine to combat metastatic triple-negative breast cancer using immunoinformatics approach
|
Rajendran Krishnamoorthy, HemaNandini
|
|
|
27 |
4 |
p. 1829-1842
|
artikel
|
| 8 |
Design, synthesis, and pharmacological evaluation of [1, 3] dioxolo-chromeno[2,3-b]pyridines as anti-seizure agents
|
Malathi, Visarapu
|
|
|
27 |
4 |
p. 1809-1827
|
artikel
|
| 9 |
Design, synthesis, graph theoretical analysis and molecular modelling studies of novel substituted quinoline analogues as promising anti-breast cancer agents
|
Dessai, Prachita Gauns
|
|
|
27 |
4 |
p. 1567-1586
|
artikel
|
| 10 |
Discovery of newer pyrazole derivatives with potential anti-tubercular activity via 3D-QSAR based pharmacophore modelling, virtual screening, molecular docking and molecular dynamics simulation studies
|
Modi, Palmi
|
|
|
27 |
4 |
p. 1547-1566
|
artikel
|
| 11 |
Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices
|
Oyedele, Abdul-Quddus Kehinde
|
|
|
27 |
4 |
p. 1879-1903
|
artikel
|
| 12 |
Exploration of NMI-MsCl mediated amide bond formation for the synthesis of novel 3,5-substituted-1,2,4-oxadiazole derivatives: synthesis, evaluation of anti-inflammatory activity and molecular docking studies
|
Kulkarni, B.
|
|
|
27 |
4 |
p. 1867-1878
|
artikel
|
| 13 |
Homology modeling of Forkhead box protein C2: identification of potential inhibitors using ligand and structure-based virtual screening
|
Ibrahim, Mayar Tarek
|
|
|
27 |
4 |
p. 1661-1674
|
artikel
|
| 14 |
How effective are ionization state-based QSPKR models at predicting pharmacokinetic parameters in humans?
|
Gomatam, Anish
|
|
|
27 |
4 |
p. 1675-1687
|
artikel
|
| 15 |
Identification of potential inhibitors of Zika virus targeting NS3 helicase using molecular dynamics simulations and DFT studies
|
Mishra, Shashank Shekher
|
|
|
27 |
4 |
p. 1689-1701
|
artikel
|
| 16 |
Magnetically recoverable Fe3O4 nanocatalyst for the synthesis of biodynamically significant 1H-pyrazolo[1,2-b]phthalazine-5,10-diones derivatives and its DFT study
|
Ansari, Mohd Danish
|
|
|
27 |
4 |
p. 1853-1866
|
artikel
|
| 17 |
Modeling of MT. P495, an mRNA-based vaccine against the phosphate-binding protein PstS1 of Mycobacterium tuberculosis
|
Shahrear, Sazzad
|
|
|
27 |
4 |
p. 1613-1632
|
artikel
|
| 18 |
Novel bis-ureido-substituted sulfaguanidines and sulfisoxazoles as carbonic anhydrase and acetylcholinesterase inhibitors
|
Lolak, Nebih
|
|
|
27 |
4 |
p. 1735-1749
|
artikel
|
| 19 |
Pharmacophoric analogs of sotorasib-entrapped KRAS G12C in its inactive GDP-bound conformation: covalent docking and molecular dynamics investigations
|
Oyedele, Abdul-Quddus Kehinde
|
|
|
27 |
4 |
p. 1795-1807
|
artikel
|
| 20 |
Progress in programmed cell death-1/programmed cell death-ligand 1 pathway inhibitors and binding mode analysis
|
Li, Xiaoyun
|
|
|
27 |
4 |
p. 1935-1955
|
artikel
|
| 21 |
Quinoline derivatives volunteering against antimicrobial resistance: rational approaches, design strategies, structure activity relationship and mechanistic insights
|
Kumar, Nitish
|
|
|
27 |
4 |
p. 1905-1934
|
artikel
|
| 22 |
β-Sitosterol could serve as a dual inhibitor of Trypanosoma congolense sialidase and phospholipase A2: in vitro kinetic analyses and molecular dynamic simulations
|
Aminu, Suleiman
|
|
|
27 |
4 |
p. 1645-1660
|
artikel
|
| 23 |
Synthesis and characterization of novel acyl hydrazones derived from vanillin as potential aldose reductase inhibitors
|
Demir, Yeliz
|
|
|
27 |
4 |
p. 1713-1733
|
artikel
|
| 24 |
Synthesis and molecular docking of new N4-piperazinyl ciprofloxacin hybrids as antimicrobial DNA gyrase inhibitors
|
Mohammed, Hamada H. H.
|
|
|
27 |
4 |
p. 1751-1765
|
artikel
|
| 25 |
Synthesis, antileishmanial activity and molecular modeling of new 1-aryl/alkyl-3-benzoyl/cyclopropanoyl thiourea derivatives
|
Mohammadi-Ghalehbin, Behnam
|
|
|
27 |
4 |
p. 1531-1545
|
artikel
|
| 26 |
The regioselective one-pot four-component synthesis of novel functionalized 4H-pyrano[2, 3-b]quinoline derivatives using DABCO as a homogeneous organocatalyst
|
Heydari, Masumeh
|
|
|
27 |
4 |
p. 1843-1851
|
artikel
|
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