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。Analysis of 1-Aroyl-3-[3-chloro-2-methylphenyl] Thiourea Hybrids as Potent Urease Inhibitors: Synthesis, Biochemical Evaluation and Computational Approach
Samina Rasheed et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)
Novel adamantyl clubbed iminothiazolidinones as promising elastase inhibitors: design, synthesis, molecular docking, ADMET and DFT studies
Atteeque Ahmed et al.
RSC ADVANCES (2022)
Convergent synthesis of carbonic anhydrase inhibiting bi-heterocyclic benzamides: Structure-activity relationship and mechanistic explorations through enzyme inhibition, kinetics, and computational studies
Farhan M. Khan et al.
JOURNAL OF HETEROCYCLIC CHEMISTRY (2021)
Periodic boundary conditions for arbitrary deformations in molecular dynamics simulations
Paul L. Barclay et al.
JOURNAL OF COMPUTATIONAL PHYSICS (2021)
Scalable molecular dynamics on CPU and GPU architectures with NAMD
James C. Phillips et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Discovery of Soft-Drug Topical Tool Modulators of Sphingosine-1-phosphate Receptor 1 (S1PR1)
Mark Bell et al.
ACS MEDICINAL CHEMISTRY LETTERS (2019)
Synthesis of sulfonamide, amide and amine hybrid pharmacophore, an entry of new class of carbonic anhydrase II inhibitors and evaluation of chemo-informatics and binding analysis
Attique Ahmed et al.
BIOORGANIC CHEMISTRY (2019)
A Controlled Cyclization of Functionalized Thioureas and Unprecedented Termolecular Decyclization of Iminothiazolidinones
Constance D. Franklin et al.
CHEMISTRYSELECT (2019)
5-Thioxoimidazolidine-2-one derivatives: Synthesis, anti-inflammatory activity, analgesic activity, COX inhibition assay and molecular modelling study
Marwa A. M. Sh El-Sharief et al.
BIOORGANIC CHEMISTRY (2019)
Carbonic anhydrase 2 (CAII) supports tumor blood endothelial cell survival under lactic acidosis in the tumor microenvironment
Dorcas A. Annan et al.
CELL COMMUNICATION AND SIGNALING (2019)
Applying Pose Clustering and MD Simulations To Eliminate False Positives in Molecular Docking
Spandana Makeneni et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2018)
Discovery of super soft-drug modulators of sphingosine-1-phosphate receptor 1
Mark Bell et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2018)
Novel non-peptidic small molecule inhibitors of secreted aspartic protease 2 (SAP2) for the treatment of resistant fungal infections
Guoqiang Dong et al.
CHEMICAL COMMUNICATIONS (2018)
Synthesis of novel thiazolidine-4-one derivatives and their anticancer activity
Nosrat O. Mahmoodi et al.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS (2017)
CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules
Seonghoon Kim et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2017)
Quantum chemical modeling of new derivatives of (E,E)-azomethines: Synthesis, spectroscopic (FT-IR, UV/Vis, polarization) and thermophysical investigations
Siyamak Shahab et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
A novel library of saccharin and acesulfame derivatives as potent and selective inhibitors of carbonic anhydrase IX and XII isoforms
Simone Carradori et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2016)
Design, synthesis and biological evaluation of 5-benzylidene-2-iminothiazolidin-4-ones as selective GSK-3β inhibitors
Minhajul Arfeen et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2016)
Novel 1,3-thiazolidin-4-one derivatives as promising anti-Candida agents endowed with anti-oxidant and chelating properties
Daniela Secci et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2016)
Perspective: Kohn-Sham density functional theory descending a staircase
Haoyu S. Yu et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
2-Benzisothiazolylimino-5-benzylidene-4-thiazolidinones as protective agents against cartilage destruction
Lucia Crasci et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2015)
Improving both aqueous solubility and anti-cancer activity by assessing progressive lead optimization libraries
Yin Liu et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2015)
Benzothiazolyl substituted iminothiazolidinones and benzamido-oxothiazolidines as potent and partly selective aldose reductase inhibitors
Aamer Saeed et al.
MEDCHEMCOMM (2014)
Consensus Docking: Improving the Reliability of Docking in a Virtual Screening Context
Douglas R. Houston et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
Design and Synthesis of 2-Iminothiazolidin-4-one Moiety-Containing Compounds as Potent Antiproliferative Agents
Xin Zhai et al.
ARCHIV DER PHARMAZIE (2012)
Design, synthesis and molecular modelling of novel methyl[4-oxo-2-(aroylimino)-3-(substituted phenyl)thiazolidin-5-ylidene]acetates as potent and selective aldose reductase inhibitors
Sher Ali et al.
MEDCHEMCOMM (2012)
Structural insight into the ligand-receptor interaction between glycyrrhetinic acid (GA) and the high-mobility group protein B1 (HMGB1)-DNA complex
Hideaki Yamaguchi et al.
BIOINFORMATION (2012)
Integrating structure-based and ligand-based approaches for computational drug design
Gregory L. Wilson et al.
FUTURE MEDICINAL CHEMISTRY (2011)
Synthesis and anti-HIV studies of 2-and 3-adamantyl-substituted thiazolidin-4-ones
Jan Balzarini 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)
2-Heteroarylimino-5-benzylidene-4-thiazolidinones analogues of 2-thiazolylimino-5-benzylidene-4-thiazolidinones with antimicrobial activity: Synthesis and structure-activity relationship
Paola Vicini et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2008)
Structure-activity relationship study of a novel necroptosis inhibitor, necrostatin-7
Weihong Zheng et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2008)
Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs
Anne Thiry et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Targeting tumor-associated carbonic anhydrase IX in cancer therapy
Anne Thiry et al.
TRENDS IN PHARMACOLOGICAL SCIENCES (2006)
Application of quantum chemical descriptor in quantitative structure activity and structure property relationship
P Thanikaivelan et al.
CHEMICAL PHYSICS LETTERS (2000)
分享论文
