| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A novel approach for assessment of antitrypanosomal activity of sesquiterpene lactones through additive and non-additive molecular structure parameters
|
Keshavarz, Mohammad Hossein
|
|
|
27 |
3 |
p. 1375-1384
|
artikel
|
| 2 |
A systematic computational study of acridine derivatives through conceptual density functional theory
|
Ranjan, Prabhat
|
|
|
27 |
3 |
p. 1271-1283
|
artikel
|
| 3 |
Benzimidazole-linked pyrazolo[1,5-a]pyrimidine conjugates: synthesis and detail evaluation as potential anticancer agents
|
Bagul, Chandrakant
|
|
|
27 |
3 |
p. 1185-1202
|
artikel
|
| 4 |
Classification models and SAR analysis on HDAC1 inhibitors using machine learning methods
|
Li, Rourou
|
|
|
27 |
3 |
p. 1037-1051
|
artikel
|
| 5 |
Convenient synthesis of benzothiazinoisoindol-11-ones and benzoindenothiazin-11-ones, and antimicrobial testing thereof
|
Mor, Satbir
|
|
|
27 |
3 |
p. 1223-1241
|
artikel
|
| 6 |
Correction to: Setomimycin as a potential molecule for COVID‑19 target: in silico approach and in vitro validation
|
Manhas, Ravi S.
|
|
|
27 |
3 |
p. 1527
|
artikel
|
| 7 |
Design and synthesis of novel quinazolinyl-bisspirooxindoles as potent anti-tubercular agents: an ultrasound-promoted methodology
|
Allaka, Bhargava Sai
|
|
|
27 |
3 |
p. 1427-1436
|
artikel
|
| 8 |
Designing of disruptor molecules to restrain the protein–protein interaction network of VANG1/SCRIB/NOS1AP using fragment-based drug discovery techniques
|
Acharyya, Suchandra Roy
|
|
|
27 |
3 |
p. 989-1010
|
artikel
|
| 9 |
Designing of potent anti-diabetic molecules by targeting SIK2 using computational approaches
|
Jayaprakash, Prajisha
|
|
|
27 |
3 |
p. 1101-1121
|
artikel
|
| 10 |
Design, synthesis and mechanism study of novel natural-derived isoquinoline derivatives as antifungal agents
|
Chen, Wei
|
|
|
27 |
3 |
p. 1011-1022
|
artikel
|
| 11 |
Design, synthesis, crystal structure, and in vitro antibacterial activities of sulfonamide derivatives bearing the 4-aminoquinazoline moiety
|
Wan, Suran
|
|
|
27 |
3 |
p. 1243-1254
|
artikel
|
| 12 |
Diastereo- and regioselective petasis aryl and allyl boration of ninhydrins towards synthesis of functionalized indene-diones and dihydrobenzoindeno-oxazin-ones
|
Sengupta, Ayon
|
|
|
27 |
3 |
p. 1385-1400
|
artikel
|
| 13 |
Discovery of potential mTOR inhibitors from Cichorium intybus to find new candidate drugs targeting the pathological protein related to the breast cancer: an integrated computational approach
|
Rasul, Hezha O.
|
|
|
27 |
3 |
p. 1141-1162
|
artikel
|
| 14 |
Efficient method for the synthesis of novel methyl 4-cinnolinecarboxylate
|
Akbari, Ali
|
|
|
27 |
3 |
p. 1401-1408
|
artikel
|
| 15 |
Efficient Suzuki coupling over novel magnetic nanoparticle: Fe3O4/L-(+)-tartaric acid/Pd(0)
|
Souri, Sajad Mohammadian
|
|
|
27 |
3 |
p. 1469-1479
|
artikel
|
| 16 |
Identification of bicyclic compounds that act as dual inhibitors of Bcl-2 and Mcl-1
|
Uthale, Abhay
|
|
|
27 |
3 |
p. 1359-1374
|
artikel
|
| 17 |
Identification of potential matrix metalloproteinase-2 inhibitors from natural products through advanced machine learning-based cheminformatics approaches
|
Yang, Ruoqi
|
|
|
27 |
3 |
p. 1053-1066
|
artikel
|
| 18 |
In silico drug repurposing for coronavirus (COVID-19): screening known HCV drugs against the SARS-CoV-2 spike protein bound to angiotensin-converting enzyme 2 (ACE2) (6M0J)
|
Kalamatianos, Konstantinos G.
|
|
|
27 |
3 |
p. 1087-1099
|
artikel
|
| 19 |
KOtBu-catalysed α-homoallylic alkylation of acyclic amides with 1-aryl-1,3-dienes
|
Xiang, Yunfei
|
|
|
27 |
3 |
p. 1481-1487
|
artikel
|
| 20 |
Ligand-based in silico identification and biological evaluation of potential inhibitors of nicotinamide N-methyltransferase
|
Kushavah, Unnati
|
|
|
27 |
3 |
p. 1255-1269
|
artikel
|
| 21 |
Matrix factorization with denoising autoencoders for prediction of drug–target interactions
|
Sajadi, Seyedeh Zahra
|
|
|
27 |
3 |
p. 1333-1343
|
artikel
|
| 22 |
MD simulation-based screening approach identified tolvaptan as a potential inhibitor of Eg5
|
Sebastian, Jomon
|
|
|
27 |
3 |
p. 1203-1221
|
artikel
|
| 23 |
Molecular mechanism of Rhubarb in the treatment of non-small cell lung cancer based on network pharmacology and molecular docking technology
|
Tan, Ye-Ru
|
|
|
27 |
3 |
p. 1437-1457
|
artikel
|
| 24 |
Mono- and di-acylated imidazolidine-2-thione derivatives: synthesis, cytotoxicity evaluation and computational studies
|
Scarsi, Anna
|
|
|
27 |
3 |
p. 1285-1295
|
artikel
|
| 25 |
Multi-channel GCN ensembled machine learning model for molecular aqueous solubility prediction on a clean dataset
|
Deng, Chenglong
|
|
|
27 |
3 |
p. 1023-1035
|
artikel
|
| 26 |
Natural flavonoids effectively block the CD81 receptor of hepatocytes and inhibit HCV infection: a computational drug development approach
|
Dey, Dipta
|
|
|
27 |
3 |
p. 1309-1322
|
artikel
|
| 27 |
Pathogenomic in silico approach identifies NSP-A and Fe-IIISBP as possible drug targets in Neisseria Meningitidis MC58 and development of pharmacophores as novel therapeutic candidates
|
Joshi, Madhavi
|
|
|
27 |
3 |
p. 1163-1184
|
artikel
|
| 28 |
Quinolone: a versatile therapeutic compound class
|
Dube, Phelelisiwe S.
|
|
|
27 |
3 |
p. 1501-1526
|
artikel
|
| 29 |
Rational synthesis, anticancer activity, and molecular docking studies of novel benzofuran liked thiazole hybrids
|
Hadiyal, Sanjay D.
|
|
|
27 |
3 |
p. 1345-1357
|
artikel
|
| 30 |
Retraction Note: CoViTris2020 and ChloViD2020: a striking new hope in COVID-19 therapy
|
Rabie, Amgad M.
|
|
|
27 |
3 |
p. 1529
|
artikel
|
| 31 |
Screening of potent STAT3-SH2 domain inhibitors from JAK/STAT compound library through molecular dynamics simulation
|
Manoharan, Suryaa
|
|
|
27 |
3 |
p. 1297-1308
|
artikel
|
| 32 |
Targeting SARS-CoV-2 non-structural protein 13 via helicase-inhibitor-repurposing and non-structural protein 16 through pharmacophore-based screening
|
Samdani, Md. Nazmus
|
|
|
27 |
3 |
p. 1067-1085
|
artikel
|
| 33 |
The impact of counterions in biological activity: case study of antibacterial alkylguanidino ureas
|
Ardino, Claudia
|
|
|
27 |
3 |
p. 1489-1499
|
artikel
|
| 34 |
Three-dimensional quantitative structural-activity relationship and molecular dynamics study of multivariate substituted 4-oxyquinazoline HDAC6 inhibitors
|
Zhao, Linan
|
|
|
27 |
3 |
p. 1123-1140
|
artikel
|
| 35 |
Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite
|
Gaur, Anamika Singh
|
|
|
27 |
3 |
p. 1459-1468
|
artikel
|
| 36 |
Ultrasound-promoted convenient and ionic liquid [BMIM]BF4 assisted green synthesis of diversely functionalized pyrazolo quinoline core via one-pot multicomponent reaction, DFT study and pharmacological evaluation
|
Chudasama, Dipakkumar D.
|
|
|
27 |
3 |
p. 1409-1425
|
artikel
|
| 37 |
Validation of catalytic site residues of Ubiquitin Specific Protease 2 (USP2) by molecular dynamic simulation and novel kinetics assay for rational drug design
|
Ullah, Shafi
|
|
|
27 |
3 |
p. 1323-1332
|
artikel
|
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