| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An investigation of binding interactions of tumor-targeted peptide conjugated polyphenols with the kinase domain of ephrin B4 and B2 receptors
|
Mitchell, Saige M.
|
|
|
28 |
2 |
p. 817-849
|
artikel
|
| 2 |
A structure-based virtual high-throughput screening, molecular docking, molecular dynamics and MM/PBSA study identified novel putative drug-like dual inhibitors of trypanosomal cruzain and rhodesain cysteine proteases
|
Eurtivong, Chatchakorn
|
|
|
28 |
2 |
p. 531-551
|
artikel
|
| 3 |
Clarifying the mechanism of apigenin against blood–brain barrier disruption in ischemic stroke using systems pharmacology
|
Wang, Xu
|
|
|
28 |
2 |
p. 609-630
|
artikel
|
| 4 |
Decoding the mechanism of earthworm extract against wounds: an integrated metabolomics and network pharmacology study
|
Wang, Dong
|
|
|
28 |
2 |
p. 631-647
|
artikel
|
| 5 |
Design and synthesis of some novel hybrid molecules based on 4-thiazolidinone bearing pyridine-pyrazole scaffolds: molecular docking and molecular dynamics simulations of its major constituent onto DNA gyrase inhibition
|
Desai, Nisheeth C.
|
|
|
28 |
2 |
p. 693-709
|
artikel
|
| 6 |
Design, synthesis, and anticancer evaluation of 1-benzo[1,3]dioxol-5-yl-3-N-fused heteroaryl indoles
|
Yao, Chun-Hsu
|
|
|
28 |
2 |
p. 595-608
|
artikel
|
| 7 |
Design, synthesis and antifungal activity of novel amide derivatives containing a pyrrolidine moiety as potential succinate dehydrogenase inhibitors
|
Luo, Xin
|
|
|
28 |
2 |
p. 805-816
|
artikel
|
| 8 |
Developments of pyridodipyrimidine heterocycles and their biological activities
|
Hammouda, Mohamed M.
|
|
|
28 |
2 |
p. 927-964
|
artikel
|
| 9 |
Discovery of novel BRD4-BD2 inhibitors via in silico approaches: QSAR techniques, molecular docking, and molecular dynamics simulations
|
Tong, Jian-Bo
|
|
|
28 |
2 |
p. 671-692
|
artikel
|
| 10 |
Discovery of potential quality markers of Fritillariae thunbergii bulbus in pneumonia by combining UPLC-QTOF-MS, network pharmacology, and molecular docking
|
Zhou, Aizhen
|
|
|
28 |
2 |
p. 787-804
|
artikel
|
| 11 |
Discovery of potent inhibitors targeting Glutathione S-transferase of Wuchereria bancrofti: a step toward the development of effective anti-filariasis drugs
|
Sureshan, Muthusamy
|
|
|
28 |
2 |
p. 765-785
|
artikel
|
| 12 |
Effect of platelet exosomes loaded with doxorubicin as a targeted therapy on triple-negative breast cancer cells
|
Uslu, Dilara
|
|
|
28 |
2 |
p. 449-460
|
artikel
|
| 13 |
Environmentally benign synthesis of unsymmetrical ureas and their evaluation as potential HIV-1 protease inhibitors via a computational approach
|
Lotha, Tsenbeni N.
|
|
|
28 |
2 |
p. 749-763
|
artikel
|
| 14 |
Evaluation of the interaction between potent small molecules against the Nipah virus Glycoprotein in Malaysia and Bangladesh strains, accompanied by the human Ephrin-B2 and Ephrin-B3 receptors; a simulation approach
|
Ebrahimi, Maryam
|
|
|
28 |
2 |
p. 851-874
|
artikel
|
| 15 |
In silico identification of a promising inhibitor of Fusarium oxysporum f. sp. Lycopersici, Secreted in Xylem 1 protein
|
Rathore, Anuranjan Singh
|
|
|
28 |
2 |
p. 711-725
|
artikel
|
| 16 |
In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study
|
Nkungli, Nyiang Kennet
|
|
|
28 |
2 |
p. 475-496
|
artikel
|
| 17 |
Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors
|
Devi, Bharti
|
|
|
28 |
2 |
p. 649-669
|
artikel
|
| 18 |
Integration of fingerprint-based similarity searching and kernel-based partial least squares analysis to predict inhibitory activity against CSK, HER2, JAK1, JAK2, and JAK3
|
Deokar, Hemantkumar
|
|
|
28 |
2 |
p. 497-507
|
artikel
|
| 19 |
Machine learning combines atomistic simulations to predict SARS-CoV-2 Mpro inhibitors from natural compounds
|
Nguyen, Trung Hai
|
|
|
28 |
2 |
p. 553-561
|
artikel
|
| 20 |
New antiproliferative 3-substituted oxindoles inhibiting EGFR/VEGFR-2 and tubulin polymerization
|
Ezelarab, Hend A. A.
|
|
|
28 |
2 |
p. 563-580
|
artikel
|
| 21 |
Prediction of probability distributions of molecular properties: towards more efficient virtual screening and better understanding of compound representations
|
Duda, Jarosław
|
|
|
28 |
2 |
p. 437-448
|
artikel
|
| 22 |
Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches
|
Das, Agneesh Pratim
|
|
|
28 |
2 |
p. 901-925
|
artikel
|
| 23 |
Spectroscopic, crystal structure and DFT-assisted studies of some nickel(II) chelates of a heterocyclic-based NNO donor aroylhydrazone: in vitro DNA binding and docking studies
|
Nair, Yamuna
|
|
|
28 |
2 |
p. 509-530
|
artikel
|
| 24 |
Synthesis, antifungal activity and mechanism of action of novel chalcone derivatives containing 1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazole
|
Zhan, Wenliang
|
|
|
28 |
2 |
p. 461-474
|
artikel
|
| 25 |
Synthesis, antitumor evaluation and computational study of thiazolidinone derivatives of dehydroabietic acid-based B ring-fused-thiazole
|
Chen, Nai-Yuan
|
|
|
28 |
2 |
p. 875-888
|
artikel
|
| 26 |
Synthesis, characterization, molecular docking studies of Mn(II)Prolinedithiocarbamate and its potential as anticancer agents
|
Jarre, Sulistiani
|
|
|
28 |
2 |
p. 889-900
|
artikel
|
| 27 |
Synthetic, biological and optoelectronic properties of phenoxazine and its derivatives: a state of the art review
|
Sadhu, Chandrita
|
|
|
28 |
2 |
p. 965-1007
|
artikel
|
| 28 |
Therapeutic target mapping from the genome of Kingella negevensis and biophysical inhibition assessment through PNP synthase binding with traditional medicinal compounds
|
Basharat, Zarrin
|
|
|
28 |
2 |
p. 581-594
|
artikel
|
| 29 |
Unravelling the anti-inflammatory mechanism of Allium cepa: an integration of network pharmacology and molecular docking approaches
|
Omoboyede, Victor
|
|
|
28 |
2 |
p. 727-747
|
artikel
|
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