Molecular Docking Analysis of Used Drugs for the Treatment of Cancer (original) (raw)

J. Biosci, 2012

Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment

Application of Computational Techniques in Pharmacy and Medicine, 2014

GEOMETRICAL AND CONFORMATIONAL STERIC AFFINITY INTERACTION STUDIES OF ANTICANCER DRUGS WITH HEXANUCLEOTIDE SEQUENCES OF DNA BY FLUORESCENCE AND ABSORPTION SPECTROPHOTOMETRY

sulabh kharbanda, Sky Institute

View PDFchevron_right

M olecular flexibility in ab initio drug docking to DNA: binding-site and binding-mode transitions in all-atom Monte Carlo simulations

Zippora Shakked

Nucleic Acids Research, 2000

View PDFchevron_right

DNA-binding study of anticancer drug cytarabine by spectroscopic and molecular docking techniques

Maryam Maghsudi

Nucleosides, Nucleotides and Nucleic Acids, 2016

View PDFchevron_right

Molecular Docking based Analysis to Elucidate DNA- 1, 2- Phenylenediamine Schiff’s Base Derivative Interactions Promotes Chemotherapeutic Intervention

Anton Hermann

ARC Journal of Pharmaceutical Sciences, 2019

View PDFchevron_right

Candidate drug molecule-DNA interaction and molecular modelling of candidate drug molecule

sulunay parlar

Journal of health sciences and medicine, 2022

View PDFchevron_right

Docking and Molecular Dynamics Simulations of Pyrazolo[3,4-d]Pyrimidine-DNA Complexes

Umesh Yadava

Advanced Science Letters, 2014

View PDFchevron_right

Computational analysis using ADMET profiling, DFT calculations and molecular docking of two anti-cancer drugs

Salim Meeran

Turkish Computational and Theoretical Chemistry

View PDFchevron_right

Binding of Novel Azole-Bridged Dinuclear Platinum(II) Anticancer Drugs to DNA: Insights from Hybrid QM/MM Molecular Dynamics Simulations

Alessandra Magistrato

Journal of Physical Chemistry B, 2006

View PDFchevron_right

Knowledge-Based Elastic Potentials for Docking Drugs or Proteins with Nucleic Acids

Bohdan Schneider

Biophysical Journal, 2005

View PDFchevron_right

Quantum Mechanical Study of some Intercalating and Groove Binding Anticancer Drugs with AT and GC Base Pair of DNA Nucleobase

Benzir Ahmed

Physical Chemistry Research, 2021

View PDFchevron_right

Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of New Drugs against Human Topoisomerase I Receptor

Tiziana Castrignanò

International Journal of Molecular Sciences

View PDFchevron_right

Pharmacological target based novel molecules design and validation for Breast and Colorectal cancer using molecular docking studies

Ritihaas Surya Challapalli, Patel Sucharita

View PDFchevron_right

Rational design, synthesis, pharmacophore modeling, and docking studies for identification of novel potent DNA-PK inhibitors

Dr.Yousery Sherif

Bioorganic Chemistry, 2017

View PDFchevron_right

Combined pharmacophore-guided 3D-QSAR, molecular docking, and virtual screening on bis-benzimidazoles and ter-benzimidazoles as DNA–topoisomerase I poisons

Rita Kakkar

Structural Chemistry, 2019

View PDFchevron_right

Supramolecular complex formed by DNA oligonucleotide and thiacalix[4]arene. NMR-spectroscopy and molecular docking

Ivan Stoikov

Journal of Molecular Structure, 2014

View PDFchevron_right

Molecular dynamic simulation and DFT study on the Drug-DNA interaction; Crocetin as an anti-cancer and DNA nanostructure model

Mohammad Housaindokht

Journal of Biomolecular Structure and Dynamics

View PDFchevron_right

A Computational QSAR, Molecular Docking and In Vitro Cytotoxicity Study of Novel Thiouracil-Based Drugs with Anticancer Activity against Human-DNA Topoisomerase II

Doaa Khaled

International Journal of Molecular Sciences

View PDFchevron_right

Structure-based Multi-targeted Molecular Docking and Molecular Dynamic Simulation Analysis to Identify Potential Inhibitors against Ovarian Cancer

Bandar Aloufi

Journal of Biochemical Technology, 2022

View PDFchevron_right

Molecular modelling studies of binding of DACD derivatives into G-Quadruplex DNA: comparison of force field and quantum polarized ligand docking methods

Christine Cardin

2012

View PDFchevron_right

Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems

Tiago Alves de Oliveira

Pharmaceuticals, 2022

View PDFchevron_right

Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach

Azadeh Khanmohammadi

Structural Chemistry, 2015

View PDFchevron_right

MOLECULAR DOCKING AND ITS APPLICATION TOWARDS MODERN DRUG DISCOVERY

Dr Satyender Kumar

View PDFchevron_right

Molecular mechanics simulations on covalent complexes between polycyclic carcinogens and B-DNA

Chandra Keshav Kumar Singh

Carcinogenesis, 1989

View PDFchevron_right

Designing DNA Binding Antitumor Antibiotics With Structure Determination: A Systems Approach

Prateek Pandya

2008

View PDFchevron_right

Molecular Docking of Biologically Active Substances to Double Helical Nucleic Acids

Anna Shestopalova

Applied Case Studies and Solutions in Molecular Docking-Based Drug Design

View PDFchevron_right

MOLECULAR DOCKING: AN EXPLANATORY APPROACH IN STRUCTURE-BASED DRUG DESIGNING AND DISCOVERY Review Article

International Journal of Pharmacy and Pharmaceutical Sciences (IJPPS)

International Journal of Pharmacy and Pharmaceutical Sciences, 2021

View PDFchevron_right

Docking Studies on Anticancer Drugs for Breast Cancer Using Hex

Nixon Raj

2009

View PDFchevron_right

DNA topoisomerase directed anti-cancerous alkaloids: ADMET based screening, molecular docking and dynamics simulation

Manika Awasthi

Biotechnology and Applied Biochemistry, 2015

View PDFchevron_right

Molecular Docking Analysis of Used Drugs for the Treatment of Cancer (original) (raw)

Related papers