相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Molecular modeling, DFT quantum chemical analysis, and molecular docking on edotecarin, an indolocarbazole anticancer agent
Sefa Celik et al.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS (2023)
Synthesis, molecular structure, DFT studies, in silico docking and molecular dynamics simulations of 2,6 dimethoxychalcone derivatives as BRD4 inhibitors
Hussien Ahmed Khamees et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Effect of o-difluoro and p-methyl substituents on the structure, optical properties and anti-inflammatory activity of phenoxy thiazole acetamide derivatives: Theoretical and experimental studies
Hussien Ahmed Khamees et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1H-indol-3-yl)methyl]imidazo[2,1-b][1,3,4]-thiadiazoles
Sadashivamurthy Shamanth et al.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS (2020)
DFT and Thermal Decomposition Studies on Gemcitabine
Ereen Rezkallah et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2019)
Exploring the cause of the inhibitor 4AX attaching to binding site disrupting protein tyrosine phosphatase 4A1 trimerization by molecular dynamic simulation
Li Wei-Ya et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2019)
Crystal structure, DFT calculation, Hirshfeld surtace analysis and energy framework study of 6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridine
Hussien Ahmed Khamees et al.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS (2019)
Crystal structure and Hirshfeld surface analysis of a conformationally unsymmetrical bischalcone: (1E,4E)-1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
Nabeel Arif Tawfeeq et al.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS (2019)
Spectroscopic investigation (FT-IR, FT-Raman), HOMO-LUMO, NBO, and molecular docking analysis of N-ethyl-N-nitrosourea, a potential anticancer agent
Priyanka Singh et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
5-(1-Aryl-3-(thiophen-2-yl)-1H-pyrazo1-4-yl)-1H-tetrazoles: Synthesis, structural characterization, Hirshfeld analysis, anti-inflammatory and anti-bacterial studies
Mahadev N. Kumbar et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Synthesis, crystal structure, spectroscopic characterization, docking simulation and density functional studies of 1-(3,4-dimethoxyphenyl)-3-(4-flurophenyl)-propan-1-one
Hussien Ahmed Khamees et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
New Pim-1 Kinase Inhibitor From the Co-culture of Two Sponge-Associated Actinomycetes
Seham S. El-Hawary et al.
FRONTIERS IN CHEMISTRY (2018)
Intermolecular interactions in molecular crystals: what's in a name?
Alison J. Edwards et al.
FARADAY DISCUSSIONS (2017)
Synthesis and antitubercular evaluation of imidazo[2,1-b][1,3,4]thiadiazole derivatives
Harun M. Patel et al.
ARABIAN JOURNAL OF CHEMISTRY (2017)
Intermolecular interactions in molecular crystals: what's in a name?
Alison J. Edwards et al.
FARADAY DISCUSSIONS (2017)
Azole Resistance in Aspergillus fumigatus: A Consequence of Antifungal Use in Agriculture?
Sarah Berger et al.
FRONTIERS IN MICROBIOLOGY (2017)
CrystalExplorer model energies and energy frame-works: extension to metal coordination compounds, organic salts, solvates and open-shell systems
Campbell F. Mackenzie et al.
IUCRJ (2017)
Synthesis and SAR Study of the Novel Thiadiazole-Imidazole Derivatives as a New Anticancer Agents
Sobhi Mohamed Gomha et al.
CHEMICAL & PHARMACEUTICAL BULLETIN (2016)
Conformational stability, spectroscopic and computational studies, HOMO-LUMO, NBO, ESP analysis, thermodynamic parameters of natural bioactive compound with anticancer potential of 2-(hydroxymethyl)anthraquinone
V. Balachandran et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)
Automatic Identification of Mobile and Rigid Substructures in Molecular Dynamics Simulations and Fractional Structural Fluctuation Analysis
Leandro Martinez
PLOS ONE (2015)
1,3,4-Thiadiazole: Synthesis, Reactions, and Applications in Medicinal, Agricultural, and Materials Chemistry
Yang Hu et al.
CHEMICAL REVIEWS (2014)
Clinical development success rates for investigational drugs
Michael Hay et al.
NATURE BIOTECHNOLOGY (2014)
1,3,4-Thiadiazole and its Derivatives: A Review on Recent Progress in Biological Activities
Abhishek Kumar Jain et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2013)
Conformational stability, vibrational assignments of 2,3-dihydroxy benzaldehyde as supported by ab initio, hybrid density functional theory and normal coordinate analysis
V. Balachandran et al.
JOURNAL OF MOLECULAR STRUCTURE (2013)
Synthesis, spectroscopic and crystal structure analysis of 2-(4-fluorobenzyl)-6-(4-methoxyphenyl)imidazo[2,1-b]-[1,3,4]thiadiazole and its morpholinomethyl derivative
Afshan Banu et al.
JOURNAL OF SAUDI CHEMICAL SOCIETY (2013)
2,6-Disubstituted imidazo[2,1-b][1,3,4]thiadiazoles: Search for anticancer agents
Malleshappa N. Noolvi et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2012)
PIM1 kinase as a target for cancer therapy
Anna Lena Merkel et al.
EXPERT OPINION ON INVESTIGATIONAL DRUGS (2012)
Cell-permeable Carboxyl-terminal p27Kip1 Peptide Exhibits Anti-tumor Activity by Inhibiting Pim-1 Kinase
Daisuke Morishita et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2011)
LigPlot+: Multiple Ligand-Protein Interaction Diagrams for Drug Discovery
Roman A. Laskowski et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
Chemistry of imidazo[2,1-b][1,3,4]thiadiazoles
Imtiyaz Ahmed M. Khazi et al.
TETRAHEDRON (2011)
Synthesis and antimicrobial studies of novel methylene bridged benzisoxazolyl imidazo[2,1-b][1,3,4]thiadiazole derivatives
Ravi S. Lamani et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2009)
AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
Garrett M. Morris et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Pim kinases promote cell cycle progression by phosphorylating and down-regulating p27Kip1 at the transcriptional and posttranscriptional levels
Daisuke Morishita et al.
CANCER RESEARCH (2008)
Mercury CSD 2.0 -: new features for the visualization and investigation of crystal structures
Clare F. Macrae et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2008)
Docking study yields four novel inhibitors of the protooncogene Pim-1 kinase
Albert C. Pierce et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Structural analysis identifies imidazo[1,2-b]Pyridazines as PIM kinase inhibitors with In vitro antileukemic activity
Vanda Pogacic et al.
CANCER RESEARCH (2007)
Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase
Sheldon Holder et al.
MOLECULAR CANCER THERAPEUTICS (2007)
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces
Joshua J. McKinnon et al.
CHEMICAL COMMUNICATIONS (2007)
Overexpression of Pim-1 during progression of prostatic adenocarcinoma
TL Cibull et al.
JOURNAL OF CLINICAL PATHOLOGY (2006)
Pim kinases phosphorylate multiple sites on Bad and promote 14-3-3 binding and dissociation from Bcl-XL
A Macdonald et al.
BMC CELL BIOLOGY (2006)
Overexpression of PIM-1 is a potential biomarker in prostate carcinoma
Y Xu et al.
JOURNAL OF SURGICAL ONCOLOGY (2005)
Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in Moloney murine leukemia virus (PIM-1) kinase
AN Bullock et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Pim-I expression in prostatic intraepithelial neoplasia and human prostate cancer
A Valdman et al.
PROSTATE (2004)
Pim-1 kinase promotes inactivation of the pro-apoptotic bad protein by phosphorylating it on the Ser112 gatekeeper site
TLT Aho et al.
FEBS LETTERS (2004)