| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An efficient one-pot synthesis and docking studies of bioactive new antiproliferative dispiro[oxindole/acenaphthylenone‒benzofuranone] pyrrolidine scaffolds
|
Sutariya, Tushar R.
|
|
|
28 |
5 |
p. 3165-3180
|
artikel
|
| 2 |
An evidence update to explore molecular targets and protective mechanisms of apigenin against abdominal aortic aneurysms based on network pharmacology and experimental validation
|
Li, Dongyu
|
|
|
28 |
5 |
p. 2913-2929
|
artikel
|
| 3 |
An insight on medicinal attributes of 1,2,3‐ and 1,2,4‐triazole derivatives as alpha-amylase and alpha-glucosidase inhibitors
|
Sharma, Anushka
|
|
|
28 |
5 |
p. 3605-3634
|
artikel
|
| 4 |
An in-silico scaffold- hopping approach to design novel inhibitors against gp130: A potential therapeutic application in cancer and Covid-19
|
Roy, Alankar
|
|
|
28 |
5 |
p. 3129-3151
|
artikel
|
| 5 |
A novel strategy to bind pyrimidine sulfonamide derivatives with odd even chains: exploration of their design, synthesis and biological activity evaluation
|
Zhou, Meng
|
|
|
28 |
5 |
p. 3011-3026
|
artikel
|
| 6 |
Bactericidal activity of esculetin is associated with impaired cell wall synthesis by targeting glutamate racemase of Neisseria gonorrhoeae
|
Pawar, Alka
|
|
|
28 |
5 |
p. 3181-3198
|
artikel
|
| 7 |
Breaking the ‘don’t eat me’ signal: in silico design of CD47-directed peptides for cancer immunotherapy
|
Laddha, Kapil
|
|
|
28 |
5 |
p. 3067-3083
|
artikel
|
| 8 |
Cheminformatics and machine learning approaches for repurposing anti-viral compounds against monkeypox virus thymidylate kinase
|
Rabaan, Ali A.
|
|
|
28 |
5 |
p. 2735-2748
|
artikel
|
| 9 |
Correction: Identifying β-secretase 1 (BACE1) inhibitors from plant-based compounds: an approach targeting Alzheimer’s therapeutics employing molecular docking and dynamics simulation
|
Alrouji, Mohammed
|
|
|
28 |
5 |
p. 2981
|
artikel
|
| 10 |
Correction to: Repurposing of approved antivirals against dengue virus serotypes: an in silico and in vitro mechanistic study
|
Rashmi, S. H.
|
|
|
28 |
5 |
p. 2845
|
artikel
|
| 11 |
Design anticancer potential of Zn(II)isoleucinedithiocarbamate complex on MCF-7 cell lines: synthesis, characterization, molecular docking, molecular dynamic, ADMET, and in-vitro studies
|
Irfandi, Rizal
|
|
|
28 |
5 |
p. 3199-3214
|
artikel
|
| 12 |
Design, synthesis, and STING-agonistic activity of benzo[b]thiophene-2-carboxamide derivatives
|
Zhou, Rongyao
|
|
|
28 |
5 |
p. 3101-3110
|
artikel
|
| 13 |
Design, synthesis, X-ray crystal structure, and antimicrobial evaluation of novel quinazolinone derivatives containing the 1,2,4-triazole Schiff base moiety and an isopropanol linker
|
Yang, Lan
|
|
|
28 |
5 |
p. 3215-3224
|
artikel
|
| 14 |
Determination of promising inhibitors for N-SH2 domain of SHP2 tyrosine phosphatase: an in silico study
|
Gencer Akçok, Emel Başak
|
|
|
28 |
5 |
p. 3393-3407
|
artikel
|
| 15 |
Diversity-oriented synthesis of 1H-1,2,3-triazole tethered pyrazolo[5,1-b]quinazoline hybrids as antimicrobial agents
|
Chudasama, Dipakkumar D.
|
|
|
28 |
5 |
p. 2875-2896
|
artikel
|
| 16 |
Emodin derivatives as promising multi-aspect intervention agents for amyloid aggregation: molecular docking/dynamics simulation, bioactivities evaluation, and cytoprotection
|
Shen, Rui
|
|
|
28 |
5 |
p. 3085-3099
|
artikel
|
| 17 |
Exploration of phytochemical compounds against Marburg virus using QSAR, molecular dynamics, and free energy landscape
|
Rabaan, Ali A.
|
|
|
28 |
5 |
p. 3261-3278
|
artikel
|
| 18 |
Exploring Monkeypox: prospects for therapeutics through computational-aided drug discovery
|
Grajales, Daniela Bermeo
|
|
|
28 |
5 |
p. 3497-3521
|
artikel
|
| 19 |
High-throughput virtual screening of potential inhibitors of GPR52 using docking and biased sampling method for Huntington’s disease therapy
|
Gupta, Himanshi
|
|
|
28 |
5 |
p. 3331-3347
|
artikel
|
| 20 |
Identification of efflux pump inhibitors for Pseudomonas aeruginosa MexAB-OprM via ligand-based pharmacophores, 2D-QSAR, molecular docking, and molecular dynamics approaches
|
Phan, Thien-Vy
|
|
|
28 |
5 |
p. 3295-3311
|
artikel
|
| 21 |
Identification of natural potent inhibitors against Mycobacterium tuberculosis isocitrate lyase: an in silico study
|
Rabaan, Ali A.
|
|
|
28 |
5 |
p. 2783-2799
|
artikel
|
| 22 |
Identification of natural product as selective PI3Kα inhibitor against NSCLC: multi-ligand pharmacophore modeling, molecular docking, ADME, DFT, and MD simulations
|
Halder, Debojyoti
|
|
|
28 |
5 |
p. 2983-3010
|
artikel
|
| 23 |
Identification of potent anti-immunogenic agents through virtual screening, 3D-QSAR studies, and in vitro experiments
|
Mushtaq, Mamona
|
|
|
28 |
5 |
p. 2771-2782
|
artikel
|
| 24 |
Identification of potential flavonoid compounds as antibacterial therapeutics against Klebsiella pneumoniae infection using structure-based virtual screening and molecular dynamics simulation
|
Dey, Jyotirmayee
|
|
|
28 |
5 |
p. 3111-3128
|
artikel
|
| 25 |
Identification of the myxobacterial secondary metabolites Aurachin A and Soraphinol A as promising inhibitors of thymidylate kinase of the Monkeypox virus
|
Ali, Yasir
|
|
|
28 |
5 |
p. 3349-3362
|
artikel
|
| 26 |
Identifying β-secretase 1 (BACE1) inhibitors from plant-based compounds: an approach targeting Alzheimer’s therapeutics employing molecular docking and dynamics simulation
|
Alrouji, Mohammed
|
|
|
28 |
5 |
p. 2967-2980
|
artikel
|
| 27 |
Investigating catalytic pathways: a comparative review of homogeneous and heterogeneous catalysis for 3-aroylimidazo[1,2-a]pyridine synthesis
|
Moutaouakil, Mohamed
|
|
|
28 |
5 |
p. 3479-3495
|
artikel
|
| 28 |
JAK2 inhibitors for the treatment of Philadelphia-negative myeloproliferative neoplasms: current status and future directions
|
Liu, Xiaofeng
|
|
|
28 |
5 |
p. 3445-3456
|
artikel
|
| 29 |
Lactic acid bacteria secreted proteins as potential Listeria monocytogenes quorum sensing inhibitors
|
Marques, Pedro Henrique
|
|
|
28 |
5 |
p. 2897-2912
|
artikel
|
| 30 |
Mechanism of Artemisia annua L. in the treatment of acute myocardial infarction: network pharmacology, molecular docking and in vivo validation
|
Liang, Deng
|
|
|
28 |
5 |
p. 3225-3242
|
artikel
|
| 31 |
Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space
|
John, Lijo
|
|
|
28 |
5 |
p. 3243-3259
|
artikel
|
| 32 |
Multivariate QSAR, similarity search and ADMET studies based in a set of methylamine derivatives described as dopamine transporter inhibitors
|
de Oliveira, Luiz Henrique Dias
|
|
|
28 |
5 |
p. 2931-2946
|
artikel
|
| 33 |
Mycobacterial FtsZ and inhibitors: a promising target for the anti-tubercular drug development
|
Shinde, Yashodeep
|
|
|
28 |
5 |
p. 3457-3478
|
artikel
|
| 34 |
Network pharmacological analysis and experimental study of cucurbitacin B in oral squamous cell carcinoma
|
Yu, Zhenyuan
|
|
|
28 |
5 |
p. 2801-2816
|
artikel
|
| 35 |
New tetrazolopyrrolidine-1,2,3-triazole analogues as potent anticancer agents: design, synthesis and molecular docking studies
|
Gandham, Siva Kumar
|
|
|
28 |
5 |
p. 3313-3329
|
artikel
|
| 36 |
Potential protein kinase inhibitors that target G-quadruplex DNA structures in the human telomeric regions
|
Banjan, Bhavya
|
|
|
28 |
5 |
p. 3377-3391
|
artikel
|
| 37 |
QSAR analysis of five generations of cephalosporins to establish the structural basis of activity against methicillin-resistant and methicillin-sensitive Staphylococcus aureus
|
Morán-Díaz, Jessica R.
|
|
|
28 |
5 |
p. 3027-3043
|
artikel
|
| 38 |
Rational design of FXR agonists: a computational approach for NASH therapy
|
Gandhe, Akshata
|
|
|
28 |
5 |
p. 3363-3376
|
artikel
|
| 39 |
Repositioning the existing drugs for neuroinflammation: a fusion of computational approach and biological validation to counter the Parkinson’s disease progression
|
Tiwari, Harshita
|
|
|
28 |
5 |
p. 2759-2770
|
artikel
|
| 40 |
Repurposing of approved antivirals against dengue virus serotypes: an in silico and in vitro mechanistic study
|
Rashmi, S. H.
|
|
|
28 |
5 |
p. 2831-2844
|
artikel
|
| 41 |
Repurposing the in-house generated Alzheimer’s disease targeting molecules through computational and preliminary in-vitro studies for the management of SARS-coronavirus-2
|
Singh, Gourav
|
|
|
28 |
5 |
p. 2847-2862
|
artikel
|
| 42 |
Review on advancements of pyranopyrazole: synthetic routes and their medicinal applications
|
Yadav, Ashok R.
|
|
|
28 |
5 |
p. 3557-3604
|
artikel
|
| 43 |
Semi-synthesis and in vitro anti-cancer effects evaluation of novel xanthohumol derivatives
|
Sun, Xiaolong
|
|
|
28 |
5 |
p. 2749-2758
|
artikel
|
| 44 |
Study on the mechanism of Gastrodiae Rhizoma, Lycii Fructus, and Ziziphi Spinosae Semen in sedation and tranquillising mind
|
Zhu, Chenghao
|
|
|
28 |
5 |
p. 3279-3294
|
artikel
|
| 45 |
Synthesis and applications of cyclonucleosides: an update (2010–2023)
|
Burchiellaro, Katherine
|
|
|
28 |
5 |
p. 3427-3443
|
artikel
|
| 46 |
Synthesis and evaluation of imidazo[1,2-a]quinoxaline derivatives as potential antifungal agents against phytopathogenic fungi
|
Ma, Taigui
|
|
|
28 |
5 |
p. 3153-3163
|
artikel
|
| 47 |
Synthesis of pyrano-pyrimidines: recent advances in catalysis by magnetically recoverable nanocatalysts
|
Fajer, Ali Noory
|
|
|
28 |
5 |
p. 3523-3555
|
artikel
|
| 48 |
Synthesis of some new 2-(substituted-phenyl)imidazo[4,5-c] and [4,5-b]pyridine derivatives and their antimicrobial activities
|
Altaib, Moftah
|
|
|
28 |
5 |
p. 2817-2829
|
artikel
|
| 49 |
Three finger toxins of elapids: structure, function, clinical applications and its inhibitors
|
Hiremath, Kashinath
|
|
|
28 |
5 |
p. 3409-3426
|
artikel
|
| 50 |
Validation of quercetin in the treatment of colon cancer with diabetes via network pharmacology, molecular dynamics simulations, and in vitro experiments
|
Zhou, Weiguo
|
|
|
28 |
5 |
p. 2947-2965
|
artikel
|
| 51 |
Vitamin D3 regulates NSUN2 expression and inhibits melanoma cell proliferation and migration
|
Wang, Ling
|
|
|
28 |
5 |
p. 2863-2874
|
artikel
|
| 52 |
WGS-based screening of the co-chaperone protein DjlA-induced curved DNA binding protein A (CbpA) from a new multidrug-resistant zoonotic mastitis-causing Klebsiella pneumoniae strain: a novel molecular target of selective flavonoids
|
Rahman, Mohammad Habibur
|
|
|
28 |
5 |
p. 3045-3066
|
artikel
|
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