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Journal of Receptors and Signal Transduction Volume 38, 2018 - Issue 5-6
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Research Article

Molecular docking and dynamics studies of 4-anilino quinazolines for epidermal growth factor receptor tyrosine kinase to find potent inhibitor

Suresh Kumar MuthuvelSchool of Life Sciences, Centre for Bioinformatics, Pondicherry University, Puducherry, Pondicherry, India; Correspondence[email protected]
,
Elakkiya ElumalaiSchool of Life Sciences, Centre for Bioinformatics, Pondicherry University, Puducherry, Pondicherry, India; ORCID Iconhttp://orcid.org/0000-0001-9449-6462
ORCID Icon,
Girija K.Department of Pharmaceutical Chemistry, Mother Theresa Post Graduate and Research Institute of Health Sciences, Gorimedu, Pondicherry, India
&
Hemalatha K.Department of Pharmaceutical Chemistry, Mother Theresa Post Graduate and Research Institute of Health Sciences, Gorimedu, Pondicherry, India
Pages 475-483 | Received 31 Dec 2018, Accepted 22 Jan 2019, Published online: 30 Apr 2019

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V. Natchimuthu, Mohnad Abdalla, Manasi Yadav, Ishita Chopra, Anushka Bhrdwaj, Khushboo Sharma, S. Ravi, Krishnan Ravikumar, Khalid J. Alzahrani, Tajamul Hussain & Anuraj Nayarisseri. (2022) Synthesis, crystal structure, hirshfeld surface analysis, molecular docking and molecular dynamics studies of novel olanzapinium 2,5-dihydroxybenzoate as potential and active antipsychotic compound. Journal of Experimental Nanoscience 17:1, pages 247-273.
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Manasi Yadav, Mohnad Abdalla, Maddala Madhavi, Ishita Chopra, Anushka Bhrdwaj, Lovely Soni, Uzma Shaheen, Leena Prajapati, Megha Sharma, Mayank Singh Sikarwar, Sarah Albogami, Tajamul Hussain, Anuraj Nayarisseri & Sanjeev Kumar Singh. (2022) Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation and Pharmacokinetic modelling of Cyclooxygenase-2 (COX-2) inhibitor for the clinical treatment of Colorectal Cancer. Molecular Simulation 48:12, pages 1081-1101.
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Preeti Ranjan & Vikash Kumar Dubey. (2024) Identification of potential anti-leishmanial compounds from natural sources against citrate synthase enzyme using structure-based drug designing. Journal of Molecular Structure 1295, pages 136556.
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