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Dr. Anu Melge

Assistant Professor, School of Biotechnology, Amritapuri

Qualification: BSc, MSc, Ph.D
anurm@am.amrita.edu
Google Scholar Profile
Scopus ID
Research Interest: Computational Biology, Structure-Based Drug Design, Chemoinformatics, Nanoinformatics

Bio

Dr. Anu Rohit Melge. currently serves as a Assistant Professor at the School of Biotechnology, Amrita Vishwa Vidyapeetham, Amritapuri. She holds a Ph.D. in Bioinformatics from Amrita Vishwa Vidyapeetham, and her research was mainly focused on the design and development of targeted therapeutics against Leukemia using computational studies and its in vitro validation. Her research interests include Computational Biology, Structure-Based Drug Design, Chemoinformatics, Nanoinformatics, Computational Simulations, and Molecular modelling.

Publications

Journal Article

Year : 2022

Discovery of Anticancer Hybrid Molecules by Supervised Machine Learning Models and in Vitro Validation in Drug Resistant Chronic Myeloid Leukemia Cells

Cite this Research Publication : Melge, A.R., Parate, S., Pavithran, K., Koyakutty, M. and Mohan, C.G., 2022. Discovery of Anticancer Hybrid Molecules by Supervised Machine Learning Models and in Vitro Validation in Drug Resistant Chronic Myeloid Leukemia Cells. Journal of Chemical Information and Modeling, 62(4), pp.1126-1146.

Publisher : American Chemical Society

Year : 2022

Doxycycline Prevents Blood-brain Barrier Dysfunction and Microvascular Hyperpermeability After Traumatic Brain Injury

Cite this Research Publication : Robinson, B.D., Isbell, C.L., Melge, A.R., Lomas, A.M., Shaji, C.A., Mohan, C.G., Huang, J.H. and Tharakan, B., 2022. Doxycycline prevents blood–brain barrier dysfunction and microvascular hyperpermeability after traumatic brain injury. Scientific Reports, 12(1), p.5415.
Publisher: Nature Publishing Group UK

Publisher : Nature Publishing Group UK

Year : 2021

Predicting the Molecular Mechanism of EGFR Domain II Dimer Binding Interface by Machine Learning to Identify Potent Small Molecule Inhibitor for Treatment of Cancer.

Cite this Research Publication : A. Mohanan, Melge, A. R., and Dr. Gopi Mohan C., “Predicting the Molecular Mechanism of EGFR Domain II Dimer Binding Interface by Machine Learning to Identify Potent Small Molecule Inhibitor for Treatment of Cancer.”, J Pharm Sci, vol. 110, no. 2, pp. 727-737, 2021.

Publisher : J Pharm Sci,

Year : 2021

A Phytochemical-based Medication Search for the SARS-CoV-2 Infection by Molecular Docking Models towards Spike Glycoproteins and Main Proteases

Cite this Research Publication : Anju Choorakott Pushkaran, Prajeesh Nath EN, Ram Manohar P., Anu R. Melge, and Dr. Gopi Mohan C., “A phytochemical-based medication search for the SARS-CoV-2 infection by molecular docking models towards spike glycoproteins and main proteases”, RSC Adv, vol. 11, 12003-12014, 2021.

Publisher : RSC Adv,

Year : 2019

Multiple e-Pharmacophore Modeling to Identify a Single Molecule that could Target Both Streptomycin and Paromomycin Binding sites for 30S Ribosomal Subunit Inhibition

Cite this Research Publication : A. C. P, Subhramanian, S., Sizochenko, N., Melge, A. R., Leszczynski, J., and Dr. Gopi Mohan C., “Multiple e-Pharmacophore Modeling to Identify a Single Molecule that could Target Both Streptomycin and Paromomycin Binding sites for 30S Ribosomal Subunit Inhibition”, J Biomol Struct Dyn, vol. 37, no. 6, pp. 1582-1596, 2019.

Publisher : J Biomol Struct Dyn

Year : 2018

Computational Simulations and Experimental Validation of Structure- Physicochemical Properties of Pristine and Functionalized Graphene: Implications for Adverse Effects on p53 Mediated DNA Damage Response

Cite this Research Publication : F. Basheer, Melge, A. R., Sasidharan, A., Shantikumar V Nair, Dr. Manzoor K., and Dr. Gopi Mohan C., “Computational Simulations and Experimental Validation of Structure- Physicochemical Properties of Pristine and Functionalized Graphene: Implications for Adverse Effects on p53 Mediated DNA Damage Response”, International Journal of Biological Macromolecules, vol. 110, pp. 540-549, 2018

Publisher : International Journal of Biological Macromolecules,

Year : 2018

Predictive Models for Designing Potent Tyrosine Kinase Inhibitors in Chronic Myeloid Leukemia for Understanding its Molecular Mechanism of Resistance by Molecular Docking and Dynamics Simulations

Cite this Research Publication : A. R. Melge, Kumar, L. G., Pavithran, K., Shantikumar V Nair, Dr. Manzoor K., and Dr. Gopi Mohan C., “Predictive Models for Designing Potent Tyrosine Kinase Inhibitors in Chronic Myeloid Leukemia for Understanding its Molecular Mechanism of Resistance by Molecular Docking and Dynamics Simulations”, Journal of Biomolecular Structure and Dynamics, 2018.

Publisher : Journal of Biomolecular Structure and Dynamics, Taylor and Francis Ltd.

Year : 2018

Structure-function Studies of Prothrombin Amrita, a Dysfunctional Prothrombin Characterized by Point Mutation at Arg553 → Gln

Cite this Research Publication : A. R. Melge, Prakash, O., S, S., Dr. Raja Biswas, Lalitha Biswas, and Dr. Gopi Mohan C., “Structure-Function Studies of Prothrombin Amrita, a Dysfunctional Prothrombin Characterized by Point Mutation at Arg553 → Gln”, International Journal of Biological Macromolecules, 2018.

Publisher : International Journal of Biological Macromolecules

Year : 2017

Epidermal Growth Factor Receptor (EGFR) Structure-based Bioactive Pharmacophore Models for Identifying Next-generation Inhibitors Against clinically relevant EGFR Mutations

Cite this Research Publication : P. S. Panicker, Melge, A. R., Biswas, L., Keechilat, P., and Mohan, C. G., “Epidermal growth factor receptor (EGFR) structure-based bioactive pharmacophore models for identifying next-generation inhibitors against clinically relevant EGFR mutations.”, Chem Biol Drug Des, vol. 90, no. 4, pp. 629-636, 2017.

Publisher : Chem Biol Drug Des,

Year : 2017

Carboxymethylated ι-carrageenan conjugated amphotericin B loaded gelatin nanoparticles for treating intracellular Candida glabrata infections

Cite this Research Publication : V. Aparna, Melge, A. R., Rajan, V. K., Biswas, R., Jayakumar, R., and C. Mohan, G., “Carboxymethylated ι-carrageenan conjugated amphotericin B loaded gelatin nanoparticles for treating intracellular Candida glabrata infections”, International Journal of Biological Macromolecules, 2017.

Publisher : International Journal of Biological Macromolecules

Year : 2016

In Silico Identification of T-type Calcium Channel Blockers: A ligand-based Pharmacophore Mapping Approach

Cite this Research Publication : T. Gandhi, Melge, A. R., and Dr. Gopi Mohan C., “In Silico Identification of T-type Calcium Channel Blockers: A ligand-based Pharmacophore Mapping Approach”, Journal of Advanced Research, vol. 7, pp. 931-944, 2016.

Publisher : Journal of Advanced Research,

Book Chapter

Year : 2019

In Silico Modeling of FDA-Approved Drugs for Discovery of Anti-Cancer Agents: A Drug-Repurposing Approach

Cite this Research Publication : Melge, A.R., Manzoor, K., Nair, S.V. and Mohan, C.G., 2019. In silico modeling of FDA-approved drugs for discovery of anti-cancer agents: a drug-repurposing approach. In In silico drug design (pp. 577-608). Academic Press, 2019

Publisher : In In silico drug design (pp. 577-608). Academic Press.

Education
  • B.Sc Biotechnology from Amrita School of Biotechnology, Amrita Vishwa Vidyapeetham, Kollam
  • M.Sc Bioinformatics from Amrita School of Biotechnology, Amrita Vishwa Vidyapeetham, Kollam
  • Ph.D in Bioinformatics from Amrita Centre for Nanosciences and Molecular Medicine, Amrita Institute of Medical Sciences, Amrita Vishwa Vidyapeetham, Kochi
Teaching
  • 22BIO211/Intelligence of Biological Systems/3 Credits/ Semester 4
Awards
  • Awarded Senior Research Fellowship (09/963(0042)/2K18-EMR-I) by CSIR Govt. of India
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