Cargando…

Molecular docking based screening of novel designed chalcone series of compounds for their anti-cancer activity targeting EGFR kinase domain

Epidermal growth factor receptors (EGFR) are critical for the growth of many tumors and expressed at high levels in about one third of epithelial cancers. Hence, blockade of the binding sites for EGFR has been hypothesized as an effective anti-cancer therapy. Chalcone derivative compounds have been...

Descripción completa

Detalles Bibliográficos
Autores principales:	Rao, Chennu Maruthi Malya Prasada, Yejella, Rajendra Prasad, Rehman, Rehman Shaik Abdul, Basha, Syed Hussain
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Biomedical Informatics 2015
Materias:	Hypothesis
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4546990/ https://www.ncbi.nlm.nih.gov/pubmed/26339147 http://dx.doi.org/10.6026/97320630011322

Ejemplares similares

Molecular docking based screening of G6PS with 1, 5 Benzothiazepine derivates for a potential inhibitor
por: Chennu, Maruthi Malya Prasada Rao, et al.
Publicado: (2015)

Insights from molecular modeling, docking and simulation of imidazole nucleus containing chalcones with EGFR kinase domain for improved binding function
por: Rao, Gondu Eswara, et al.
Publicado: (2016)

Pharmacophore feature-based virtual screening for finding potent GSK-3 inhibitors using molecular docking and dynamics simulations
por: Chauhan, Navneet, et al.
Publicado: (2016)

Molecular docking and dynamic simulations of benzimidazoles with beta-tubulins
por: Rao, Chennu Maruthi Malya Prasada, et al.
Publicado: (2021)

Design, Synthesis, and Antibacterial and Antifungal Activities of Novel Trifluoromethyl and Trifluoromethoxy Substituted Chalcone Derivatives
por: Lagu, Surendra Babu, et al.
Publicado: (2020)

Antitubercular activity assessment of fluorinated chalcones, 2-aminopyridine-3-carbonitrile and 2-amino-4H-pyran-3-carbonitrile derivatives: In vitro, molecular docking and in-silico drug likeliness studies
por: Lagu, Surendra Babu, et al.
Publicado: (2022)

Synthesis, Antimicrobial, and Computational Evaluation of Novel Isobutylchalcones as Antimicrobial Agents
por: Shaik, Afzal Basha, et al.
Publicado: (2017)

Docking analysis of verteporfin with YAP WW domain
por: Kandoussi, Ilham, et al.
Publicado: (2017)

Selection of Luteolin as a potential antagonist from molecular docking analysis of EGFR mutant
por: Ambrose, George Oche, et al.
Publicado: (2018)

Insights from the predicted structural analysis of carborane substituted withaferin A with Indoleamine - 2,3-dioxygenase as a potent inhibitor
por: Basha, Syed Hussain, et al.
Publicado: (2016)

Molecular docking based screening of neem-derived compounds with the NS1 protein of Influenza virus
por: Ahmad, Aftab, et al.
Publicado: (2015)

Domain wise docking analyses of the modular chitin binding protein CBP50 from Bacillus thuringiensis serovar konkukian S4
por: Sehar, Ujala, et al.
Publicado: (2013)

Molecular docking analysis of phytoconstituent from Momordica charantia with Guanylate Cyclase catalytic domain
por: Ghanta, Mohankrishna, et al.
Publicado: (2018)

Molecular docking analysis of UniProtKB nitrate reductase enzyme with known natural flavonoids
por: Shaik, Ayub, et al.
Publicado: (2016)

Molecular Docking studies of D2 Dopamine receptor with Risperidone derivatives
por: Bhargava, Kiran, et al.
Publicado: (2014)

Binding property of HIV p24 and Reverse transcriptase by chalcones from Pongamia pinnata seeds
por: Mathaiyan, Manikannan, et al.
Publicado: (2018)

Molecular docking study of P4-Benzoxaborolesubstituted ligands as inhibitors of HCV NS3/4A protease
por: Wadood, Abdul, et al.
Publicado: (2013)

Domain analyses of Usher syndrome causing Clarin-1 and GPR98 protein models
por: Khan, Sehrish Haider, et al.
Publicado: (2014)

Virtual screening of RAGE inhibitors using molecular docking
por: Devi Alaparthi, Malini, et al.
Publicado: (2016)

Identification of human cyclooxegenase-2 inhibitors from Cyperus scariosus (R.Br) rhizomes
por: Kakarla, Lavanya, et al.
Publicado: (2014)

Virtual screening of plant derived compounds for aldose reductase inhibition using molecular docking
por: Muppalaneni, Naresh Babu, et al.
Publicado: (2012)

Homology modeling, active site prediction, and targeting the anti hypertension activity through molecular docking on endothelin – B receptor domain
por: Rayalu, Daddam Jayasimha, et al.
Publicado: (2012)

Virtual screening and docking of lead like molecules against Glutathione-S-Transferase protein from Brugia malayi
por: Venkata Satya Chekkara, Siva Prasad, et al.
Publicado: (2018)

Comparison and correlation of binding mode of ATP in the kinase domains of Hexokinase family
por: Kumar, Yellapu Nanda, et al.
Publicado: (2012)

Molecular Docking studies of FKBP12-mTOR inhibitors using binding predictions
por: Nasr, Arash Boroumand, et al.
Publicado: (2015)

Shape based virtual screening and molecular docking towards designing novel pancreatic lipase inhibitors
por: Veeramachaneni, Ganesh Kumar, et al.
Publicado: (2015)

A docking study of insulin with LI-CR-L2 ecto domain of insulin receptor: an easy way for preliminary screening of novel anti-diabetic peptides
por: Bhattacharyya, Rajasri, et al.
Publicado: (2012)

Molecular docking and virtual screening for novel protein tyrosine phosphatase 1B (PTP1B) inhibitors
por: Rao, Pasupuleti Sreenivasa, et al.
Publicado: (2012)

Molecular docking based screening of Noggin inhibitors
por: Gudipati, Sindhura, et al.
Publicado: (2018)

Sequence analysis and homology modeling of peroxidase from Medicago sativa
por: Hooda, Vinita, et al.
Publicado: (2012)

Computational analysis of human and mouse CREB3L4 Protein
por: Velpula, Kiran Kumar, et al.
Publicado: (2012)

Docking study of HIV-1 reverse transcriptase with phytochemicals
por: Seal, Abhik, et al.
Publicado: (2011)

Structure prediction of Bestrophin for the induced - fit docking of anthocyanins
por: Priya, Sathyan Sri Lavvanya, et al.
Publicado: (2012)

Insights from the docked DoxDA Model with Thiosulphate
por: Ray, Sujay, et al.
Publicado: (2016)

Molecular docking analysis of curcumin analogues with COX-2
por: Sohilait, Mario Rowan, et al.
Publicado: (2017)

Structural prediction and comparative docking studies of psychrophilic β- Galactosidase with lactose, ONPG and PNPG against its counter parts of mesophilic and thermophilic enzymes
por: Kumar, Ponnada Suresh, et al.
Publicado: (2011)

Selection of epitope-based vaccine targets of HCV genotype 1 of Asian origin: a systematic in silico approach
por: Shehzadi, Abida, et al.
Publicado: (2012)

Identification of potential leads against 4-hydroxytetrahydrodipicolinate synthase from Mycobacterium tuberculosis
por: Rehman, Ajijur, et al.
Publicado: (2016)

Pre-docking filter for protein and ligand 3D structures
por: Wilantho, Alisa, et al.
Publicado: (2008)

Molecular docking studies on DMDP derivatives as human DHFR inhibitors
por: Srivastava, Vivek, et al.
Publicado: (2008)

Cannot write session to /tmp/vufind_sessions/sess_9gkk9f3gm474bjpjfae3avq9jl