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 : 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 : 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,