Literature DB >> 25579567

Mechanistics in drug design - experimental molecular biology vs. molecular modeling.

Anuraj Nayarisseri, Mukesh Yadav1.   

Abstract

Mesh：

Year:  2015        PMID： 25579567     DOI： 10.2174/1568026615666150112122202

Source DB:  PubMed          Journal:  Curr Top Med Chem        ISSN： 1568-0266            Impact factor:   3.295


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  7 in total

1.  The electrostatic embedding contribution to DFT calculations of ligand-amino acid residues interaction.

Authors:  Tamires C da Silva Ribeiro; Marcelo L Lyra; Vinícius Manzoni
Journal:  J Mol Model       Date:  2018-07-19       Impact factor: 1.810

2.  Structure-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation of VEGF inhibitors for the clinical treatment of Ovarian Cancer.

Authors:  Sourav Mukherjee; Mohnad Abdalla; Manasi Yadav; Maddala Madhavi; Anushka Bhrdwaj; Ravina Khandelwal; Leena Prajapati; Aravind Panicker; Aashish Chaudhary; Ashraf Albrakati; Tajamul Hussain; Anuraj Nayarisseri; Sanjeev Kumar Singh
Journal:  J Mol Model       Date:  2022-03-24       Impact factor: 1.810

3.  Design of novel JAK3 Inhibitors towards Rheumatoid Arthritis using molecular docking analysis.

Authors:  Divya Jain; Trishang Udhwani; Shreshtha Sharma; Aishwarya Gandhe; Palugulla Bhaskar Reddy; Anuraj Nayarisseri; Sanjeev Kumar Singh
Journal:  Bioinformation       Date:  2019-02-28

4.  Design of PD-L1 inhibitors for lung cancer.

Authors:  Trishang Udhwani; Sourav Mukherjee; Khushboo Sharma; Jajoriya Sweta; Natasha Khandekar; Anuraj Nayarisseri; Sanjeev Kumar Singh
Journal:  Bioinformation       Date:  2019-02-28

5.  FLT3 inhibitor design using molecular docking based virtual screening for acute myeloid leukemia.

Authors:  Padmini Gokhale; Aashish Pratap Singh Chauhan; Anushka Arora; Natasha Khandekar; Anuraj Nayarisseri; Sanjeev Kumar Singh
Journal:  Bioinformation       Date:  2019-02-28

6.  Virtual Screening of IL-6 Inhibitors for Idiopathic Arthritis.

Authors:  Palak Shukla; Ravina Khandelwal; Diksha Sharma; Anindya Dhar; Anuraj Nayarisseri; Sanjeev Kumar Singh
Journal:  Bioinformation       Date:  2019-02-28

7.  Identification of Potent VEGF Inhibitors for the Clinical Treatment of Glioblastoma, A Virtual Screening Approach.

Authors:  Mohini Yadav; Ravina Khandelwal; Urvy Mudgal; Sivaraj Srinitha; Natasha Khandekar; Anuraj Nayarisseri; Sugunakar Vuree; Sanjeev Kumar Singh
Journal:  Asian Pac J Cancer Prev       Date:  2019-09-01
  7 in total

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