| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational study to identify Sesamol derivatives as NRF2 activator for protection against drug-induced liver injury (DILI)
|
Mili, Ajay
|
|
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28 |
3 |
p. 1709-1731
|
artikel
|
| 2 |
A novel compound to overcome influenza drug resistance in endonuclease inhibitors
|
Ren, Yixin
|
|
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28 |
3 |
p. 1323-1333
|
artikel
|
| 3 |
Anticancer activity, DFT study, ADMET prediction, and molecular docking of novel α-sulfamidophosphonates
|
Guerfi, Meriem
|
|
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28 |
3 |
p. 1023-1038
|
artikel
|
| 4 |
Anti-tubercular activity evaluation of natural compounds by targeting Mycobacterium tuberculosis resuscitation promoting factor B inhibition: An in silico study
|
Rabaan, Ali A.
|
|
|
28 |
3 |
p. 1057-1072
|
artikel
|
| 5 |
Antiviral activity evaluation and action mechanism of myricetin derivatives containing thioether quinoline moiety
|
Wang, Qifan
|
|
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28 |
3 |
p. 1039-1055
|
artikel
|
| 6 |
Chrysin based pyrimidine-piperazine hybrids: design, synthesis, in vitro antimicrobial and in silico E. coli topoisomerase II DNA gyrase efficacy
|
Patel, Kajalben B.
|
|
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28 |
3 |
p. 1377-1392
|
artikel
|
| 7 |
Conjugates of ibuprofen inhibit CHIKV infection and inflammation
|
Dash, Rudra N.
|
|
|
28 |
3 |
p. 1261-1272
|
artikel
|
| 8 |
Coumarin linked thiazole derivatives as potential α-glucosidase inhibitors to treat diabetes mellitus
|
Ichale, Rushikesh
|
|
|
28 |
3 |
p. 1239-1247
|
artikel
|
| 9 |
Curcumin interferes with chitin synthesis in Aedes aegypti: a computational and experimental investigation
|
Rao, Priyashi
|
|
|
28 |
3 |
p. 1505-1529
|
artikel
|
| 10 |
Design and synthesis of pyrrolo[2,3-d]pyrimidine linked hybrids as α-amylase inhibitors: molecular docking, MD simulation, ADMET and antidiabetic screening
|
Zala, Ajayrajsinh R.
|
|
|
28 |
3 |
p. 1681-1695
|
artikel
|
| 11 |
Design, synthesis and biological activity evaluation of novel covalent S-acylation inhibitors
|
Yu, Wei
|
|
|
28 |
3 |
p. 1073-1092
|
artikel
|
| 12 |
Design, synthesis, and evaluation of 2,2’-bipyridyl derivatives as bifunctional agents against Alzheimer’s disease
|
Tan, Ren-Xian
|
|
|
28 |
3 |
p. 1225-1238
|
artikel
|
| 13 |
Design, synthesis and neuraminidase inhibitory activity of 4-methyl-5-(3-phenylacryloyl) thiazoles
|
Liu, Yu-Yang
|
|
|
28 |
3 |
p. 1129-1140
|
artikel
|
| 14 |
Design, synthesis, molecular docking, and dynamic studies of novel thiazole derivatives incorporating benzimidazole moiety and assessment as antibacterial agents
|
Chedupaka, Raju
|
|
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28 |
3 |
p. 1565-1576
|
artikel
|
| 15 |
Design, synthesis of benzimidazole tethered 3,4-dihydro-2H-benzo[e] [1, 3] oxazines as anticancer agents
|
Gali, Srinivas
|
|
|
28 |
3 |
p. 1347-1361
|
artikel
|
| 16 |
Discovery of novel direct small-molecule inhibitors targeting HIF-2α using structure-based virtual screening, molecular dynamics simulation, and MM-GBSA calculations
|
Yazdani, Behnaz
|
|
|
28 |
3 |
p. 1203-1224
|
artikel
|
| 17 |
Discovery of novel flavonoid derivatives as potential dual inhibitors against α-glucosidase and α-amylase: virtual screening, synthesis, and biological evaluation
|
Mai, Tan Thanh
|
|
|
28 |
3 |
p. 1629-1650
|
artikel
|
| 18 |
Enantioselective organocatalytic Friedel–Crafts reaction of electron-rich phenols and isatins by Takemoto’s thiourea catalyst
|
Chen, Zhe
|
|
|
28 |
3 |
p. 1733-1742
|
artikel
|
| 19 |
Exploration of interaction interface of TRKβ/BDNF through fingerprint analysis to disinter potential agonists
|
Hemasree, G. N. S.
|
|
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28 |
3 |
p. 1531-1549
|
artikel
|
| 20 |
Exploring molecular fingerprints of different drugs having bile interaction: a stepping stone towards better drug delivery
|
Sardar, Sourav
|
|
|
28 |
3 |
p. 1471-1483
|
artikel
|
| 21 |
Extraction, isolation, synthesis, and biological evaluation of novel piperic acid derivatives for the treatment of Alzheimer’s disease
|
Kumar, Jitendra
|
|
|
28 |
3 |
p. 1439-1458
|
artikel
|
| 22 |
GluN2B subunit selective N-methyl-D-aspartate receptor ligands: Democratizing recent progress to assist the development of novel neurotherapeutics
|
Ugale, Vinod
|
|
|
28 |
3 |
p. 1765-1792
|
artikel
|
| 23 |
Identification of a 1, 8-naphthyridine-containing compound endowed with the inhibition of p53-MDM2/X interaction signaling: a computational perspective
|
Olukunle, Oluwatoyin Folake
|
|
|
28 |
3 |
p. 1109-1127
|
artikel
|
| 24 |
Identification of FDA-approved drugs with triple targeting mode of action for the treatment of monkeypox: a high throughput virtual screening study
|
Srivastava, Varshita
|
|
|
28 |
3 |
p. 1093-1107
|
artikel
|
| 25 |
Identification of Mulberrofuran as a potent inhibitor of hepatitis A virus 3Cpro and RdRP enzymes through structure-based virtual screening, dynamics simulation, and DFT studies
|
Sureshan, Muthusamy
|
|
|
28 |
3 |
p. 1609-1628
|
artikel
|
| 26 |
Identification of 5-nitroindazole as a multitargeted inhibitor for CDK and transferase kinase in lung cancer: a multisampling algorithm-based structural study
|
Ahmad, Shaban
|
|
|
28 |
3 |
p. 1189-1202
|
artikel
|
| 27 |
Identification of phytochemical inhibitors targeting phosphate acetyltransferase of Mycoplasma genitalium: insights from virtual screening and molecular dynamics studies
|
Barik, Krishnendu
|
|
|
28 |
3 |
p. 1651-1663
|
artikel
|
| 28 |
Identification of potential Akt activators: a ligand and structure-based computational approach
|
Kumar, Harish B.
|
|
|
28 |
3 |
p. 1485-1503
|
artikel
|
| 29 |
Identification of potential inhibitors of cholinergic and β-secretase enzymes from phytochemicals derived from Gongronema latifolium Benth leaf: an integrated computational analysis
|
Gyebi, Gideon Ampoma
|
|
|
28 |
3 |
p. 1305-1322
|
artikel
|
| 30 |
Identification of the potential TLR7 antagonists by virtual screening and experimental validation
|
Ruan, Pinglang
|
|
|
28 |
3 |
p. 1335-1346
|
artikel
|
| 31 |
Microwave-assisted enzymatic synthesis of geraniol esters in solvent-free systems: optimization of the reaction parameters, purification and characterization of the products, and biocatalyst reuse
|
Venturi, Valentina
|
|
|
28 |
3 |
p. 1665-1679
|
artikel
|
| 32 |
Microwave produced 8-methyl-1,2,4,8-tetraazaspiro[4.5]dec-2-en-3-amine derivatives: their in vitro and in silico analysis
|
Patel, Parth P.
|
|
|
28 |
3 |
p. 1409-1422
|
artikel
|
| 33 |
Molecular docking and simulation studies of some pyrazolone-based bioactive ligands targeting the NF-κB signaling pathways
|
Philip, Surya
|
|
|
28 |
3 |
p. 1459-1469
|
artikel
|
| 34 |
Molecular iodine catalyzed C(sp2)–H sulfenylation of biologically active enaminone compounds under mechanochemical conditions and studies on their biocidal activity including molecular docking and DFT
|
Islam, Aminul
|
|
|
28 |
3 |
p. 1597-1607
|
artikel
|
| 35 |
Monoamine oxidase inhibition properties of 2,1-benzisoxazole derivatives
|
Shetnev, Anton
|
|
|
28 |
3 |
p. 1009-1021
|
artikel
|
| 36 |
Network pharmacology, molecular docking, and molecular dynamics simulation to elucidate the mechanism of anti-aging action of Tinospora cordifolia
|
Bisht, Amisha
|
|
|
28 |
3 |
p. 1743-1763
|
artikel
|
| 37 |
New apoptotic anti-triple-negative breast cancer theobromine derivative inhibiting EGFRWT and EGFRT790M: in silico and in vitro evaluation
|
Eissa, Ibrahim H.
|
|
|
28 |
3 |
p. 1153-1173
|
artikel
|
| 38 |
Novel fluoroquinolones analogues bearing 4-(arylcarbamoyl)benzyl: design, synthesis, and antibacterial evaluation
|
Peytam, Fariba
|
|
|
28 |
3 |
p. 1577-1596
|
artikel
|
| 39 |
N-substituted tetrahydro-beta-carboline as mu-opioid receptors ligands: in silico study; molecular docking, ADMET and molecular dynamics approach
|
Alananzeh, Waleed A.
|
|
|
28 |
3 |
p. 1273-1289
|
artikel
|
| 40 |
Recent synthetic approaches towards thienothiophenes: a potential template for biologically active compounds
|
Rafiq, Ayesha
|
|
|
28 |
3 |
p. 1793-1821
|
artikel
|
| 41 |
Recent updates on structural insights of MAO-B inhibitors: a review on target-based approach
|
Baweja, Gurkaran Singh
|
|
|
28 |
3 |
p. 1823-1845
|
artikel
|
| 42 |
Repurposing of drug molecules from FDA database against Hepatitis C virus E2 protein using ensemble docking approach
|
Chaudhuri, Dwaipayan
|
|
|
28 |
3 |
p. 1175-1188
|
artikel
|
| 43 |
Structural insights and cytotoxicity evaluation of benz[e]indole pyrazolyl-substituted amides
|
Ramle, Abdul Qaiyum
|
|
|
28 |
3 |
p. 1363-1376
|
artikel
|
| 44 |
Structure-based drug design-guided identification of estrogen receptor binders
|
Samanta, Rojalini
|
|
|
28 |
3 |
p. 1291-1303
|
artikel
|
| 45 |
Structure based High-Throughput Virtual Screening, Molecular Docking and Molecular Dynamics Study of anticancer natural compounds against fimbriae (FimA) protein of Porphyromonas gingivalis in oral squamous cell carcinoma
|
Singh, Suchitra
|
|
|
28 |
3 |
p. 1141-1152
|
artikel
|
| 46 |
Synthesis, antidiabetic activity and molecular docking studies of novel aryl benzylidenethiazolidine-2,4-dione based 1,2,3-triazoles
|
Patnam, Nagesh
|
|
|
28 |
3 |
p. 1551-1563
|
artikel
|
| 47 |
Synthesis of bis-thiohydantoin derivatives as an antiproliferative agents targeting EGFR inhibitory pathway
|
Hassan, Alaa A.
|
|
|
28 |
3 |
p. 1249-1260
|
artikel
|
| 48 |
Targeting lipid-sensing nuclear receptors PPAR (α, γ, β/δ): HTVS and molecular docking/dynamics analysis of pharmacological ligands as potential pan-PPAR agonists
|
Mandal, Sumit Kumar
|
|
|
28 |
3 |
p. 1423-1438
|
artikel
|
| 49 |
TNFipred: a classification model to predict TNF-α inhibitors
|
Prabha, Niharika K.
|
|
|
28 |
3 |
p. 1697-1707
|
artikel
|
| 50 |
Virtual screening of FOXO3a activators from natural product-like compound library
|
Manoharan, Suryaa
|
|
|
28 |
3 |
p. 1393-1408
|
artikel
|
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