| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An in silico approach for identification of lead compound as FtsZ inhibitor
|
Kifayat, Sumaiya
|
|
|
28 |
6 |
p. 3937-3948
|
artikel
|
| 2 |
An overview of recent advancements in small molecules suppression of oncogenic signaling of K-RAS: an updated review
|
Sabt, Ahmed
|
|
|
28 |
6 |
p. 4581-4608
|
artikel
|
| 3 |
Anticancer activity features of imidazole-based ionic liquids and lysosomotropic detergents: in silico and in vitro studies
|
Gryniukova, Anastasiia
|
|
|
28 |
6 |
p. 3817-3833
|
artikel
|
| 4 |
Antidiabetic potential of thiazolidinedione derivatives with efficient design, molecular docking, structural activity relationship, and biological activity: an update review (2021–2023)
|
Sharma, Anchal
|
|
|
28 |
6 |
p. 4609-4633
|
artikel
|
| 5 |
Biocomputational screening of natural compounds targeting 15-hydroxyprostaglandin dehydrogenase to improve skeletal muscle during aging
|
Ahmad, Syed Sayeed
|
|
|
28 |
6 |
p. 4425-4439
|
artikel
|
| 6 |
Clustering of atoms relative to vector space in the Z-matrix coordinate system and ‘graphical fingerprint’ analysis of 3D pharmacophore structure
|
Kızılcan, Dilek Şeyma
|
|
|
28 |
6 |
p. 4087-4104
|
artikel
|
| 7 |
Comprehensive computational investigation for ligand recognition and binding dynamics of SdiA: a degenerate LuxR -type receptor in Klebsiella pneumoniae
|
Panchal, Janki
|
|
|
28 |
6 |
p. 3897-3918
|
artikel
|
| 8 |
Computational discovery of novel FYN kinase inhibitors: a cheminformatics and machine learning-driven approach to targeted cancer and neurodegenerative therapy
|
Gopal, Dhanushya
|
|
|
28 |
6 |
p. 4343-4359
|
artikel
|
| 9 |
Copper (II) complex supported on magnetic nanoparticles as a novel nanocatalyst for the synthesis of imidazo[1,2-a]pyridines
|
Jiang, Shanshan
|
|
|
28 |
6 |
p. 3859-3877
|
artikel
|
| 10 |
Deciphering neuroprotective mechanism of nitroxoline in cerebral ischemia: network pharmacology and molecular modeling-based investigations
|
Vadak, Namrata
|
|
|
28 |
6 |
p. 3993-4015
|
artikel
|
| 11 |
Deciphering the multi-functional role of Indian propolis for the management of Alzheimer’s disease by integrating LC–MS/MS, network pharmacology, molecular docking, and in-vitro studies
|
Sankaran, Sandeep
|
|
|
28 |
6 |
p. 4325-4342
|
artikel
|
| 12 |
Design and investigation of interactions of novel peptide conjugates of purine and pyrimidine derivatives with EGFR and its mutant T790M/L858R: an in silico and laboratory study
|
Hunt, Hannah L.
|
|
|
28 |
6 |
p. 3683-3711
|
artikel
|
| 13 |
Design, synthesis and biological evaluation of MNK-PROTACs
|
Sun, Xue
|
|
|
28 |
6 |
p. 3783-3800
|
artikel
|
| 14 |
Design, synthesis, and biological evaluation of new biaryl derivatives of cycloalkyl diacetamide bearing chalcone moiety as type II c-MET kinase inhibitors
|
Salarinejad, Somayeh
|
|
|
28 |
6 |
p. 4167-4180
|
artikel
|
| 15 |
Design, synthesis, and pharmacological evaluation of indazole carboxamides of N-substituted pyrrole derivatives as soybean lipoxygenase inhibitors
|
Lavrentaki, Vasiliki
|
|
|
28 |
6 |
p. 3757-3782
|
artikel
|
| 16 |
Design, synthesis, anti-mycobacterial activity, molecular docking and ADME analysis of spiroquinoxaline-1,2,4-oxadiazoles via [3 + 2] cycloaddition reaction under ultrasound irradiation
|
Kanchrana, Madhu
|
|
|
28 |
6 |
p. 3979-3991
|
artikel
|
| 17 |
Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testing
|
Zhang, Wen
|
|
|
28 |
6 |
p. 3949-3963
|
artikel
|
| 18 |
Discovery of Palbociclib as a potent c-Myc G4 stabilizer for lung cancer treatment using molecular docking, molecular dynamics simulation, and in vitro activity evaluation
|
Gao, Jian
|
|
|
28 |
6 |
p. 3965-3977
|
artikel
|
| 19 |
Diversifying the benzenesulfonamide scaffold for potential V-ATPase inhibitors: synthesis and insecticidal activity evaluation
|
Qian, Hao
|
|
|
28 |
6 |
p. 4105-4111
|
artikel
|
| 20 |
Exploring host epigenetic enzymes as targeted therapies for visceral leishmaniasis: in silico design and in vitro efficacy of KDM6B and ASH1L inhibitors
|
Dutta, Mukul
|
|
|
28 |
6 |
p. 4403-4424
|
artikel
|
| 21 |
First report on chemometrics-driven multilayered lead prioritization in addressing oxysterol-mediated overexpression of G protein-coupled receptor 183
|
Bhattacharjee, Arnab
|
|
|
28 |
6 |
p. 4199-4220
|
artikel
|
| 22 |
Fluorinated 2-arylchroman-4-ones and their derivatives: synthesis, structure and antiviral activity
|
Troshkova, Nadezhda
|
|
|
28 |
6 |
p. 3635-3660
|
artikel
|
| 23 |
Green synthesis and investigation of antioxidant and antibacterial activity of new derivatives of chromenoazepines employing CuO/TiO2@MWCNTs
|
Hasani, Leila
|
|
|
28 |
6 |
p. 4137-4149
|
artikel
|
| 24 |
Guanidine dicycloamine-based analogs: green chemistry synthesis, biological investigation, and molecular docking studies as promising antibacterial and antiglycation leads
|
El-Remaily, Mahmoud Abd El Aleem. A. A.
|
|
|
28 |
6 |
p. 4277-4299
|
artikel
|
| 25 |
Identification of molecular targets of Trigonelline for treating breast cancer through network pharmacology and bioinformatics-based prediction
|
Manivannan, Hema Priya
|
|
|
28 |
6 |
p. 3835-3857
|
artikel
|
| 26 |
Identification of novel potential cathepsin-B inhibitors through pharmacophore-based virtual screening, molecular docking, and dynamics simulation studies for the treatment of Alzheimer’s disease
|
Jangra, Jatin
|
|
|
28 |
6 |
p. 4381-4401
|
artikel
|
| 27 |
Identification of potential JNK3 inhibitors through virtual screening, molecular docking and molecular dynamics simulation as therapeutics for Alzheimer’s disease
|
Devi, Bharti
|
|
|
28 |
6 |
p. 4361-4380
|
artikel
|
| 28 |
In-silico identification and exploration of small molecule coumarin-1,2,3-triazole hybrids as potential EGFR inhibitors for targeting lung cancer
|
Kumar, Sunil
|
|
|
28 |
6 |
p. 4301-4324
|
artikel
|
| 29 |
In silico identification of potential phytochemical inhibitors for mpox virus: molecular docking, MD simulation, and ADMET studies
|
Ghate, Sudeep D.
|
|
|
28 |
6 |
p. 4067-4086
|
artikel
|
| 30 |
Ligand-based pharmacophore modeling and machine learning for the discovery of potent aurora A kinase inhibitory leads of novel chemotypes
|
Banat, Rajaa
|
|
|
28 |
6 |
p. 4241-4257
|
artikel
|
| 31 |
Medicinal chemistry perspective of JAK inhibitors: synthesis, biological profile, selectivity, and structure activity relationship
|
Maji, Lalmohan
|
|
|
28 |
6 |
p. 4467-4513
|
artikel
|
| 32 |
Multi-method computational evaluation of the inhibitors against leucine-rich repeat kinase 2 G2019S mutant for Parkinson's disease
|
Elhadi, Ahmed
|
|
|
28 |
6 |
p. 4181-4197
|
artikel
|
| 33 |
Network-based drug repurposing identifies small molecule drugs as immune checkpoint inhibitors for endometrial cancer
|
Ahmed, Faheem
|
|
|
28 |
6 |
p. 3879-3895
|
artikel
|
| 34 |
Novel flavonol derivatives containing benzoxazole as potential antiviral agents: design, synthesis, and biological evaluation
|
Zhou, Yuanxiang
|
|
|
28 |
6 |
p. 3919-3935
|
artikel
|
| 35 |
Organohalogen chalcones: design, synthesis, ADMET prediction, molecular dynamics study and inhibition effect on acetylcholinesterase and carbonic anhydrase
|
Aydin, Busra Ozturk
|
|
|
28 |
6 |
p. 3739-3755
|
artikel
|
| 36 |
Precision in stereochemistry: the integral role of catalytic asymmetric Biginelli reaction in crafting enantiomerically pure dihydropyrimidinones
|
Bendi, Anjaneyulu
|
|
|
28 |
6 |
p. 4441-4466
|
artikel
|
| 37 |
Repositioning of anti-infective compounds against monkeypox virus core cysteine proteinase: a molecular dynamics study
|
Rabaan, Ali A.
|
|
|
28 |
6 |
p. 4113-4135
|
artikel
|
| 38 |
Screening inhibitors against the Ef-Tu of Fusobacterium nucleatum: a docking, ADMET and PBPK assessment study
|
Alzamami, Ahmad
|
|
|
28 |
6 |
p. 4259-4276
|
artikel
|
| 39 |
Structure-based drug design and characterization of novel pyrazine hydrazinylidene derivatives with a benzenesulfonate scaffold as noncovalent inhibitors of DprE1 tor tuberculosis treatment
|
Shivakumar,
|
|
|
28 |
6 |
p. 4221-4239
|
artikel
|
| 40 |
Structure-based virtual screening against multiple Plasmodium falciparum kinases reveals antimalarial compounds
|
Godara, Priya
|
|
|
28 |
6 |
p. 3661-3681
|
artikel
|
| 41 |
Sulfonamido, amido heterocyclic adducts of tetrazole derivatives as BACE1 inhibitors: in silico exploration
|
Joshi, Nachiket
|
|
|
28 |
6 |
p. 4017-4049
|
artikel
|
| 42 |
Synthesis, biological activities and mechanism studies of 1,3,4-oxadiazole analogues of petiolide A as anticancer agents
|
Zhang, Minjie
|
|
|
28 |
6 |
p. 3713-3737
|
artikel
|
| 43 |
Synthesis, biological evaluation and molecular docking studies of novel 1,3,4-thiadiazoles as potential anticancer agents and human carbonic anhydrase inhibitors
|
Karakuş, Sevgi
|
|
|
28 |
6 |
p. 3801-3815
|
artikel
|
| 44 |
Synthesis, modifications, and applications of iron-based nanoparticles
|
Shahbazi, Raheleh
|
|
|
28 |
6 |
p. 4515-4552
|
artikel
|
| 45 |
Synthesis of propargylamine: pioneering a green path with non-conventional KA2 coupling approach
|
Khadanga, Lambodar
|
|
|
28 |
6 |
p. 4635-4650
|
artikel
|
| 46 |
Taming the cytokine storm: small molecule inhibitors targeting IL-6/IL-6α receptor
|
Zia, Komal
|
|
|
28 |
6 |
p. 4151-4165
|
artikel
|
| 47 |
The identification of c-Abl inhibitors as potential agents for Parkinson’s disease: a preliminary in silico approach
|
Rymbai, Emdormi
|
|
|
28 |
6 |
p. 4051-4065
|
artikel
|
| 48 |
Therapeutic applications of carbohydrate-based compounds: a sweet solution for medical advancement
|
Lalhmangaihzuala, Samson
|
|
|
28 |
6 |
p. 4553-4579
|
artikel
|
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