Theoretical investigation of structure, anticancer activity and molecular docking of thiourea derivatives

Hydrogen Sulfide in Pharmacotherapy, Beyond the Hydrogen Sulfide-Donors

(2020) Ewelina Zaorska et al.   Biomolecules

Molecular docking, Hirshfeld surface analysis and spectroscopic investigations of 1-(adamantan-1-yl)-3-(4-fluorophenyl)thiourea: A potential bioactive agent

(2019) Yusuf Sert et al.   CHEMICAL PHYSICS LETTERS

Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea

(2019) Anna Bielenica et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis and molecular docking of N,N′-disubstituted thiourea derivatives as novel aromatase inhibitors

(2018) Ratchanok Pingaew et al.   BIOORGANIC CHEMISTRY

Current Insights of BRAF Inhibitors in Cancer

(2018) Bogos Agianian et al.   JOURNAL OF MEDICINAL CHEMISTRY

Crystallographic and spectroscopic studies as well as DFT quantum chemical calculations of hydrazo-bond conformation in 4,4′-dimethyl-3,3′,5,5′-tetranitro-2,2-hydrazobipyridine

(2018) E. Kucharska et al.   JOURNAL OF MOLECULAR STRUCTURE

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds

(2018) Alexey A. Lagunin et al.   PLoS One

Apalutamide for the treatment of prostate cancer

(2018) Dana E. Rathkopf et al.   Expert Review of Anticancer Therapy

Thiourea bioleaching for gold recycling from e-waste

(2018) Intan Nurul Rizki et al.   WASTE MANAGEMENT

Thiourea: A Molecule with Immense Biological Significance for Plants

(2017) Abdul Wahid   INTERNATIONAL JOURNAL OF AGRICULTURE AND BIOLOGY

Synthesis, Vibrational Spectra, and DFT Simulations of 3-bromo-2-methyl-5-(4-nitrophenyl)thiophene

(2017) A. A. Balakit et al.   Journal of Applied Spectroscopy

Synthesis, structural characterization and quantum chemical calculations on 1-(isomeric methylbenzoyl)-3-(4-trifluoromethylphenyl)thioureas

(2017) Lei Qiao et al.   JOURNAL OF MOLECULAR STRUCTURE

Spectroscopic characterization of 1-[3-(1 H -imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations

(2017) Javeed Ahmad War et al.   JOURNAL OF MOLECULAR STRUCTURE

Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

(2017) V.V. Aswathy et al.   JOURNAL OF MOLECULAR STRUCTURE

Exploring the binding mechanism of paraquat to DNA by a combination of spectroscopic, cellular uptake, molecular docking and molecular dynamics simulation methods

(2017) Fataneh Jafari et al.   NEW JOURNAL OF CHEMISTRY

Synthesis and biological evaluation of terminal functionalized thiourea-containing dipeptides as antitumor agents

(2017) Ri-Zhen Huang et al.   RSC Advances

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

Normal coordinate analysis and fungicidal activity study on anilazine and its related compound using spectroscopic techniques

(2016) Gilbert Pushpam Sheeja Mol et al.   CHEMICAL PHYSICS LETTERS

Vibrational, NMR and UV–Visible spectroscopic investigation, VCD and NLO studies on Benzophenone thiosemicarbazone using computational calculations

(2016) N. Moorthy et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis and evaluation of the diarylthiourea analogs as novel anti-cancer agents

(2015) Shengquan Liu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Synthesis, spectral, thermal and structural characterization of a hexanuclear copper(I) cluster and a cobalt(III) complex of 1-ethyl-3-phenyl-thiourea

(2015) A. Singh et al.   POLYHEDRON

Synthesis, Crystal Structure, and DFT Calculations of 1,3-Diisobutyl Thiourea

(2015) Ataf A. Altaf et al.   Journal of Chemistry

Vibrational spectroscopic, NMR parameters and electronic properties of three 3-phenylthiophene derivatives via density functional theory

(2014) Yuan Mei-Rong et al.   SpringerPlus

Thiourea and Guanidine Derivatives as Antimalarial and Antimicrobial Agents§

(2013) Amita Mishra et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Recent progress in the identification of BRAF inhibitors as anti-cancer agents

(2013) Hala Bakr El-Nassan   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

NF- B2/p52 Induces Resistance to Enzalutamide in Prostate Cancer: Role of Androgen Receptor and Its Variants

(2013) N. Nadiminty et al.   MOLECULAR CANCER THERAPEUTICS

Design and synthesis of thiourea compounds that inhibit transmembrane anchored carbonic anhydrases

(2012) Janina Moeker et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

(2012) Xuan-Yu Meng et al.   Current Computer-Aided Drug Design

Hydrogen-Bonding Thiourea Organocatalysts: The Privileged 3,5-Bis(trifluoromethyl)phenyl Group

(2012) Katharina M. Lippert et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Structural requirement of phenylthiourea analogs for their inhibitory activity of melanogenesis and tyrosinase

(2011) Pillaiyar Thanigaimalai et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Revisiting the General Solubility Equation: In Silico Prediction of Aqueous Solubility Incorporating the Effect of Topographical Polar Surface Area

(2011) Jogoth Ali et al.   Journal of Chemical Information and Modeling

Synthesis and biological evaluation of novel N, N′-disubstituted urea and thiourea derivatives as potential anti-melanoma agents

(2011) Qing-Shan Li et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Vibrational spectroscopic analysis of 2-bromobenzoic and anthranilic acids: A combined experimental and theoretical study

(2011) M. Govindarajan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Identification of a potent and noncytotoxic inhibitor of melanin production

(2010) Soonho Hwang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

A Series of α-Heterocyclic Carboxaldehyde Thiosemicarbazones Inhibit Topoisomerase IIα Catalytic Activity

(2010) He Huang et al.   JOURNAL OF MEDICINAL CHEMISTRY

FT-IR and FT-Raman spectra, vibrational assignments, NBO analysis and DFT calculations of 2-amino-4-chlorobenzonitrile

(2010) S. Sudha et al.   JOURNAL OF MOLECULAR STRUCTURE

Spectroscopic investigations and structural confirmation studies on thiourea

(2010) K. Srinivasan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis and structure–activity relationships of N-benzyl-N-(X-2-hydroxybenzyl)-N′-phenylureas and thioureas as antitumor agents

(2009) Huan-Qiu Li et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Synthesis, characterization and biological evaluation of some thiourea derivatives bearing benzothiazole moiety as potential antimicrobial and anticancer agents

(2009) Sohail Saeed et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Antitumor Activity of a New N-Substituted Thiourea Derivative, an EGFR Signaling-Targeted Inhibitor against a Panel of Human Lung Cancer Cell Lines

(2008) Xishan Xiong et al.   CHEMOTHERAPY

Oxadiazole-carbonylaminothioureas as SIRT1 and SIRT2 Inhibitors

(2008) Tero Huhtiniemi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Novel Microtubule-Interacting Phenoxy Pyridine and Phenyl Sulfanyl Pyridine Analogues for Cancer Therapy

(2008) Ravi Kumar Anchoori et al.   JOURNAL OF MEDICINAL CHEMISTRY

Vibrational spectroscopic studies and DFT calculations of 4-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide

(2008) L. Ushakumari et al.   JOURNAL OF RAMAN SPECTROSCOPY

Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity

(2008) J. Tsai et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA