Souza T, Pereira L, Alves A, Dourado D, Lins J, Scotti M
Pharmaceuticals (Basel). 2024; 17(10).
PMID: 39459038
PMC: 11510188.
DOI: 10.3390/ph17101399.
Sajed T, Sayeeda Z, Lee B, Berjanskii M, Wang F, Gautam V
Metabolites. 2024; 14(5).
PMID: 38786767
PMC: 11123270.
DOI: 10.3390/metabo14050290.
Wakoli J, Anjum A, Sajed T, Oler E, Wang F, Gautam V
Nucleic Acids Res. 2024; 52(W1):W381-W389.
PMID: 38783107
PMC: 11223868.
DOI: 10.1093/nar/gkae425.
Fallica A, Sorrenti V, DAmico A, Salerno L, Romeo G, Intagliata S
J Med Chem. 2021; 64(18):13373-13393.
PMID: 34472337
PMC: 8474116.
DOI: 10.1021/acs.jmedchem.1c00633.
Stein R, Yang Y, Balius T, OMeara M, Lyu J, Young J
J Chem Inf Model. 2021; 61(2):699-714.
PMID: 33494610
PMC: 7913603.
DOI: 10.1021/acs.jcim.0c00598.
New Arylethanolimidazole Derivatives as HO-1 Inhibitors with Cytotoxicity against MCF-7 Breast Cancer Cells.
Ciaffaglione V, Intagliata S, Pittala V, Marrazzo A, Sorrenti V, Vanella L
Int J Mol Sci. 2020; 21(6).
PMID: 32168943
PMC: 7139504.
DOI: 10.3390/ijms21061923.
Precise modelling and interpretation of bioactivities of ligands targeting G protein-coupled receptors.
Wu J, Liu B, Chan W, Wu W, Pang T, Hu H
Bioinformatics. 2019; 35(14):i324-i332.
PMID: 31510691
PMC: 6612825.
DOI: 10.1093/bioinformatics/btz336.
Interaction of Chrysin and Its Main Conjugated Metabolites Chrysin-7-Sulfate and Chrysin-7-Glucuronide with Serum Albumin.
Mohos V, Fliszar-Nyul E, Schilli G, Hetenyi C, Lemli B, Kunsagi-Mate S
Int J Mol Sci. 2018; 19(12).
PMID: 30562928
PMC: 6320863.
DOI: 10.3390/ijms19124073.
Identification of novel lipid modifications and intermembrane dynamics in using high-resolution mass spectrometry.
Klatt S, Brammananth R, OCallaghan S, Kouremenos K, Tull D, Crellin P
J Lipid Res. 2018; 59(7):1190-1204.
PMID: 29724782
PMC: 6027913.
DOI: 10.1194/jlr.M082784.
Tyr-ψ[( Z)CF═CH]-Gly Fluorinated Peptidomimetic Improves Distribution and Metabolism Properties of Leu-Enkephalin.
Altman R, Sharma K, Rajewski L, Toren P, Baltezor M, Pal M
ACS Chem Neurosci. 2018; 9(7):1735-1742.
PMID: 29648788
PMC: 6051889.
DOI: 10.1021/acschemneuro.8b00085.
Virtual Screening and Statistical Analysis in the Design of New Caffeine Analogues Molecules with Potential Epithelial Anticancer Activity.
Costa J, Costa K, Cruz J, da Silva Ramos R, Barros Silva L, Brasil D
Curr Pharm Des. 2017; 24(5):576-594.
PMID: 28699538
PMC: 5944109.
DOI: 10.2174/1381612823666170711112510.
2D-SAR and 3D-QSAR analyses for acetylcholinesterase inhibitors.
Niu B, Zhao M, Su Q, Zhang M, Lv W, Chen Q
Mol Divers. 2017; 21(2):413-426.
PMID: 28275924
DOI: 10.1007/s11030-017-9732-0.
Common SAR Derived from Linear and Non-linear QSAR Studies on AChE Inhibitors used in the Treatment of Alzheimer's Disease.
Pulikkal B, Marunnan S, Bandaru S, Yadav M, Nayarisseri A, Sureshkumar S
Curr Neuropharmacol. 2016; 15(8):1093-1099.
PMID: 27964704
PMC: 5725541.
DOI: 10.2174/1570159X14666161213142841.
Development of MLR and SVM Aided QSAR Models to Identify Common SAR of GABA Uptake Herbal Inhibitors used in the Treatment of Schizophrenia.
Marunnan S, Pulikkal B, Jabamalairaj A, Bandaru S, Yadav M, Nayarisseri A
Curr Neuropharmacol. 2016; 15(8):1085-1092.
PMID: 27919211
PMC: 5725540.
DOI: 10.2174/1567201814666161205131745.
Prediction of anticancer molecules using hybrid model developed on molecules screened against NCI-60 cancer cell lines.
Singh H, Kumar R, Singh S, Chaudhary K, Gautam A, Raghava G
BMC Cancer. 2016; 16:77.
PMID: 26860193
PMC: 4748564.
DOI: 10.1186/s12885-016-2082-y.
Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.
Allen B, Mehta S, Ember S, Schonbrunn E, Ayad N, Schurer S
Sci Rep. 2015; 5:16924.
PMID: 26596901
PMC: 4657038.
DOI: 10.1038/srep16924.
ZINC 15--Ligand Discovery for Everyone.
Sterling T, Irwin J
J Chem Inf Model. 2015; 55(11):2324-37.
PMID: 26479676
PMC: 4658288.
DOI: 10.1021/acs.jcim.5b00559.
Connecting proteins with drug-like compounds: Open source drug discovery workflows with BindingDB and KNIME.
Nicola G, Berthold M, Hedrick M, Gilson M
Database (Oxford). 2015; 2015.
PMID: 26384374
PMC: 4572361.
DOI: 10.1093/database/bav087.
Alkyloxy carbonyl modified hexapeptides as a high affinity compounds for Wnt5A protein in the treatment of psoriasis.
Kelotra A, Gokhale S, Kelotra S, Mukadam V, Nagwanshi K, Bandaru S
Bioinformation. 2015; 10(12):743-9.
PMID: 25670877
PMC: 4312367.
DOI: 10.6026/97320630010743.
Structure based virtual screening of ligands to identify cysteinyl leukotriene receptor 1 antagonist.
Bandaru S, Marri V, Kasera P, Kovuri P, Girdhar A, Mittal D
Bioinformation. 2014; 10(10):652-7.
PMID: 25489175
PMC: 4248348.
DOI: 10.6026/97320630010652.