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
Synthesis, Molecular Docking and Preliminary Antileukemic Activity of 4-Methoxybenzyl Derivatives Bearing Imidazo[2,1-b][1,3,4]thiadiazole.
Cite this Research Publication : B. Choodamani, Karla G Cano Hernandez, Sujeet Kumar, Ann Maria Tony, Austre Y Schiaffi Bustamante, Renato J Aguilera, Dominique Schols, Dr. Gopi Mohan C., and Subhas S. Karki, “Synthesis, Molecular Docking and Preliminary Antileukemic Activity of 4-Methoxybenzyl Derivatives Bearing Imidazo[2,1-b][1,3,4]thiadiazole.”, Chemistry and Biodiversity, vol. 18, no. 2, p. e2000800, 2021.
Publisher : Chemistry and Biodiversity
Year : 2021
Machine learning models for predicting the activity of AChE and BACE1 dual inhibitors for the treatment of Alzheimer’s disease.
Cite this Research Publication : Ganesan Dhamodharan and Dr. Gopi Mohan C., “Machine learning models for predicting the activity of AChE and BACE1 dual inhibitors for the treatment of Alzheimer's disease.”, Molecular Diversity (Article in Press), 2021.
Publisher : Molecular Diversity
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 : 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
Interaction mechanism of Mycobacterium tuberculosis GroEL2 protein with macrophage Lectin-like, oxidized low-density lipoprotein receptor-1: An integrated computational and experimental study.
Cite this Research Publication : V. Vinod, Pushkaran, A. Choorakott, Anil Kumar, Dr. Gopi Mohan C., and Dr. Raja Biswas, “Interaction mechanism of Mycobacterium tuberculosis GroEL2 protein with macrophage Lectin-like, oxidized low-density lipoprotein receptor-1: An integrated computational and experimental study.”, Biochim Biophys Acta Gen Subj, vol. 1865, no. 1, p. 129758, 2021.
Publisher : Biochim Biophys Acta Gen Subj
Year : 2020
Substrate Specific Inhibitor Designed against the Immunomodulator GMF-beta Reversed the Experimental Autoimmune Encephalomyelitis
Cite this Research Publication : J. J. Vattathara, Prakash, O., Subhramanian, S., Satheeshkumar, M. K., Xavier, T., Anil, M., Pillai, G. S., Anandakuttan, A., Radhakrishnan, S., Sivanarayanan, T. B., Unni, A. K. K., Dr. Gopi Mohan C., and Krishnakumar N. Menon, “Substrate Specific Inhibitor Designed against the Immunomodulator GMF-beta Reversed the Experimental Autoimmune Encephalomyelitis”, Scientific Reports, vol. 10, no. 1, p. 3790, 2020.
Publisher : Scientific Reports
Year : 2020
Structure-Based Bioactive Phytochemical Design from Ayurvedic Formulations Towards Spike and Mpro Druggable Targets of SARS-CoV-2
Cite this Research Publication : C. Pushkaran Anju, Prajeeshnath E. N., Shantikumar V Nair, Ram Manohar P., and Dr. Gopi Mohan C., “Structure-Based Bioactive Phytochemical Design from Ayurvedic Formulations Towards Spike and Mpro Druggable Targets of SARS-CoV-2”, ChemRxi, 2020.
Publisher : ChemRxi, ChemRxiv
Year : 2020
Substrate Specific Inhibitor Designed against the Immunomodulator GMF-beta Reversed the Experimental Autoimmune Encephalomyelitis
Cite this Research Publication : J. J. Vattathara, Prakash, O., Subhramanian, S., Satheeshkumar, M. K., Xavier, T., Anil, M., Pillai, G. S., Anandakuttan, A., Radhakrishnan, S., Sivanarayanan, T. B., Unni, A. K. K., Dr. Gopi Mohan C., and Krishnakumar N. Menon, “Substrate Specific Inhibitor Designed against the Immunomodulator GMF-beta Reversed the Experimental Autoimmune Encephalomyelitis”, Scientific Reports, vol. 10, no. 1, p. 3790, 2020.
Publisher : Scientific Reports
Year : 2019
Generation of Humanized Single-chain Fragment Variable Immunotherapeutic against EGFR Variant III using Baculovirus Expression System and in vitro validation.
Cite this Research Publication : Serene Xavier, Dr. Gopi Mohan C., Shantikumar V Nair, Krishnakumar N. Menon, and Dr. Lakshmi Sumitra, “Generation of Humanized Single-chain Fragment Variable Immunotherapeutic against EGFR Variant III using Baculovirus Expression System and in vitro validation.”, Int J Biol Macromol, vol. 124, pp. 17-24, 2019.
Publisher : Int J Biol Macromol,
Year : 2019
Combination of Repurposed Drug Diosmin with Amoxicillin-Clavulanic acid Causes Synergistic Inhibition of Mycobacterial Growth
Cite this Research Publication : A. Choorakott Pushkaran, Vinod, V., Muralidharan Vanuopadath, Sudarslal S, Shantikumar V Nair, Vasudevan, A. Kumar, Dr. Raja Biswas, and Dr. Gopi Mohan C., “Combination of Repurposed Drug Diosmin with Amoxicillin-Clavulanic acid Causes Synergistic Inhibition of Mycobacterial Growth”, Scientific Reports, vol. 9, no. 1, 2019.
Publisher : Scientific Reports, Nature Publishing Group,
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 : 2008, 2018
Preparation, characterization and efficacy of lysostaphin-chitosan gel against Staphylococcus aureus
Cite this Research Publication : S. Nithya, Nimal, T. R., Baranwal, G., Suresh, M. K., C.P., A., V. Kumar, A., Dr. Gopi Mohan C., Dr. Jayakumar Rangasamy, and Dr. Raja Biswas, “Preparation, Characterization and Efficacy of Lysostaphin-chitosan Gel Against Staphylococcus Aureus”, International Journal of Biological Macromolecules, 2018.
Publisher : International Journal of Biological Macromolecules
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 : 2018
Elastic versus Alloying Effects in Mg-Based Hydride Films
Cite this Research Publication : A. Baldi, Mooij, L., Palmisano, V., Schreuders, H., Dr. Gopi Mohan C., Kooi, B. J., Dam, B., and Griessen, R., “Elastic versus Alloying Effects in Mg-Based Hydride Films”, Phys. Rev. Lett., vol. 121, p. 255503, 2018.
Publisher : Phys. Rev. Lett.
Year : 2018
Carboxymethylated ɩ-carrageenan conjugated amphotericin B loaded gelatin nanoparticles for treating intracellular Candida glabrata infections.
Cite this Research Publication : V. Aparna, Melge, A. Rohit, Rajan, V. K., Raja Biswas, Dr. Jayakumar Rangasamy, and Dr. Gopi Mohan C., “Carboxymethylated ɩ-carrageenan Conjugated Amphotericin B loaded Gelatin Nanoparticles for Treating Intracellular Candida Glabrata Infections”, International Journal of Biological Macromolecules, vol. 110, pp. 140 - 149, 2018.
Publisher : International Journal of Biological Macromolecules
Year : 2017
Preparation, Characterization, drug Release and Computational Modelling Studies of Antibiotics Loaded Amorphous Chitin Nanoparticles.
Cite this Research Publication :
N. K. Gayathri, Aparna, V., Maya, S., Biswas, R., Jayakumar, R., and Dr. Gopi Mohan C., “Preparation, Characterization, drug Release and Computational Modelling Studies of Antibiotics Loaded Amorphous Chitin Nanoparticles.”, Carbohydr Polym, vol. 177, pp. 67-76, 2017.
Publisher : Carbohydr Polym,
Year : 2017
Bacterial peptidoglycan with amidated meso-diaminopimelic acid evades NOD1 recognition: an insight into NOD1 structure–recognition
Cite this Research Publication : Sukhithasri Vijayrajratnam, Anju Choorakottayil Pushkaran, Aathira Balakrishnan, Anil Kumar Vasudevan, Raja Biswas, Chethampadi Gopi Mohan "Bacterial peptidoglycan with amidated meso-diaminopimelic acid evades NOD1 recognition: an insight into NOD1 structure–recognition", Biochemical Journal, 2017
Publisher : Biochemical Journal,
Year : 2017
Understanding the Molecular Differential Recognition of Muramyl Peptide Ligands by LRR Domains of Human NOD Receptors.
Cite this Research Publication : S. Vijayrajratnam, Pushkaran, A. Choorakott, Balakrishnan, A., Vasudevan, A. Kumar, Dr. Raja Biswas, and Dr. Gopi Mohan C., “Understanding the Molecular Differential Recognition of Muramyl Peptide Ligands by LRR Domains of Human NOD Receptors.”, Biochem J, vol. 474, no. 16, pp. 2691-2711, 2017.
Publisher : Biochem J
Year : 2017
Understanding the Adhesion Mechanism of Mucin Binding domain from Lactobacillus fermentum and its Role in Enteropathogen Exclusion.
Cite this Research Publication : M. Chatterjee, Pushkaran, A. Choorakott, Vasudevan, A. Kumar, Krishnakumar N. Menon, Dr. Raja Biswas, and Dr. Gopi Mohan C., “Understanding the Adhesion Mechanism of Mucin Binding domain from Lactobacillus fermentum and its Role in Enteropathogen Exclusion.”, Int J Biol Macromol, vol. 110, pp. 598-607, 2017.
Publisher : Int J Biol Macromol
Year : 2017
Mechanistic Understanding of Phenyllactic Acid Mediated Inhibition of Quorum Sensing and Biofilm Development in Pseudomonas Aeruginosa
Cite this Research Publication : M. Chatterjee, D'Morris, S., Paul, V., Warrier, S., Vasudevan, A. Kumar, Muralidharan Vanuopadath, Nair, S. Sadasivan, Dr. Bindhu Paul, Dr. Gopi Mohan C., and Dr. Raja Biswas, “Mechanistic Understanding of Phenyllactic Acid Mediated Inhibition of Quorum Sensing and Biofilm Development in Pseudomonas Aeruginosa”, Appl Microbiol Biotechnol, vol. 101, no. 22, pp. 8223-8236, 2017
Publisher : Appl Microbiol Biotechnol
Year : 2017
In vivo evaluation of cetuximab-conjugated poly(γ-glutamic acid)-docetaxel nanomedicines in EGFR-overexpressing gastric cancer xenografts.
Cite this Research Publication : S. M, S, U., Dr. Gopi Mohan C., B, S., IK, P., and R, J., “In vivo evaluation of cetuximab-conjugated poly(γ-glutamic acid)-docetaxel nanomedicines in EGFR-overexpressing gastric cancer xenografts.”, International Journal of Nanomedicine, 2017.
Publisher : International Journal of Nanomedicine
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., Dr. Lalitha Biswas, Keechilat, P., and Dr. Gopi Mohan C., “Epidermal Growth Factor Receptor (EGFR) Structure-based Bioactive Pharmacophore Models for Identifying Next-generation Inhibitors Against Clinically relevant EGFR Mutations”, Chemical Biology & Drug Design, vol. 90, pp. 629-636, 2017.
Publisher : Chemical Biology Drug Design
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,
Year : 2016
Antibiotic Resistance in Pseudomonas Aeruginosa and Alternative Therapeutic Options
Cite this Research Publication :
M. Chatterjee, Anju, C. P., Biswas, L., V. Kumar, A., Dr. Gopi Mohan C., and Dr. Raja Biswas, “Antibiotic Resistance in Pseudomonas Aeruginosa and Alternative Therapeutic Options”, International Journal of Medical Microbiology, vol. 306, pp. 48 - 58, 2016.
Publisher : International Journal of Medical Microbiology, Elsevier GmbH,
Year : 2016
Antibiotic resistance in Pseudomonas aeruginosa and alternative therapeutic options
Cite this Research Publication : M. Chatterjee, Anju, C. P., Biswas, L., V. Kumar, A., Dr. Gopi Mohan C., and Dr. Raja Biswas, “Antibiotic Resistance in Pseudomonas Aeruginosa and Alternative Therapeutic Options”, International Journal of Medical Microbiology, vol. 306, pp. 48 - 58, 2016.
Publisher : International Journal of Medical Microbiology, Elsevier GmbH
Year : 2016
Integration of in silico modeling, prediction by binding energy and experimental approach to study the amorphous chitin nanocarriers for cancer drug delivery
Cite this Research Publication : P. Geetha, Sivaram, A. J., Dr. Jayakumar Rangasamy, and Dr. Gopi Mohan C., “Integration of in silico modeling, prediction by binding energy and experimental approach to study the amorphous chitin nanocarriers for cancer drug delivery”, Carbohydrate Polymers, vol. 142, pp. 240-249, 2016.
Publisher : Carbohydrate Polymers, Elsevier Ltd,
Year : 2016
Integration of Common Feature Pharmacophore Modeling and in Vitro Study to Identify Potent AChE Inhibitors
Cite this Research Publication : S. Patil, Tyagi, A., Jose., J., Krishnakumar N. Menon, and Dr. Gopi Mohan C., “Integration of Common Feature Pharmacophore Modeling and in Vitro Study to Identify Potent AChE Inhibitors”, Medicinal Chemistry Research, vol. 25, pp. 2965–2975, 2016.
Publisher : Medicinal Chemistry Research.
Year : 2016
Identification of T-type calcium channel blockers: A ligand-based pharmacophore mapping approach.
Cite this Research Publication : T. Gandhi, Melge, A. R., and C Mohan, G., “ identification of T-type calcium channel blockers: A ligand-based pharmacophore mapping approach.”, J Adv Res, vol. 7, no. 6, pp. 931-944, 2016.
Publisher : J Adv Res.
Year : 2016
Bacterial Peptidoglycan with Amidated meso -diaminopimelic acid Evades NOD1 Recognition: An insight on NOD1 Structure-Recognition Study
Cite this Research Publication : S. Vijayrajratnam, Pushkaran, A. Choorakott, Balakrishnan, A., Vasudevan, A., Biswas, R., and Dr. Gopi Mohan C., “Bacterial Peptidoglycan with Amidated meso -diaminopimelic acid Evades NOD1 Recognition: An insight on NOD1 Structure-Recognition Study”, Biochemical Journal, 2016.
Publisher : Biochemical Journal, Portland Press Limited .
Year : 2015
Understanding the Structure–Function Relationship of Lysozyme Resistance in Staphylococcus aureus by Peptidoglycan O-Acetylation Using Molecular Docking, Dynamics, and Lysis Assay
Cite this Research Publication : A. C. Pushkaran, Nataraj, N., Nair, N., Götz, F., Dr. Raja Biswas, and Dr. Gopi Mohan C., “Understanding the Structure–Function Relationship of Lysozyme Resistance in Staphylococcus aureus by Peptidoglycan O-Acetylation Using Molecular Docking, Dynamics, and Lysis Assay”, Journal of Chemical Information and Modeling, vol. 55, pp. 760-770, 2015.
Publisher : Journal of Chemical Information and Modeling
Year : 2014
Synthesis, biological evaluation and molecular modeling study of pyrazole derivatives as selective COX-2 inhibitors and anti-inflammatory agents
Cite this Research Publication : A. Kumar Tewari, Singh, V. Prakash, Yadav, P., Gupta, G., Singh, A., Goel, R. Kumar, Shinde, P., and Dr. Gopi Mohan C., “Synthesis, biological evaluation and molecular modeling study of pyrazole derivatives as selective COX-2 inhibitors and anti-inflammatory agents”, Bioorganic Chemistry, vol. 56, pp. 8 - 15, 2014.
Publisher : Bioorganic Chemistry
Year : 2014
Structure–Function Prediction of $alpha$2A-, $alpha$2B-, and $alpha$2C-Adrenoceptors using Homology Model Assisted Antagonist Binding Study
Cite this Research Publication : V. Kumar, Bansal, G., Patel, J., and Dr. Gopi Mohan C., “Structure–Function Prediction of $\alpha$2A-, $\alpha$2B-, and $\alpha$2C-Adrenoceptors using Homology Model Assisted Antagonist Binding Study”, Medicinal Chemistry Research, vol. 23, pp. 735–746, 2014.
Publisher : Medicinal Chemistry Research
Year : 2014
Dual Binding Site and Selective Acetylcholinesterase Inhibitors Derived from Integrated Pharmacophore Models and Sequential Virtual Screening
Cite this Research Publication : S. Gupta and Dr. Gopi Mohan C., “Dual Binding Site and Selective Acetylcholinesterase Inhibitors Derived from Integrated Pharmacophore Models and Sequential Virtual Screening”, BioMed Research International (Hindawi), 2014.
Publisher : BioMed Research International (Hindawi)
Year : 2014
Chemical modifications of cinchona alkaloids lead to enhanced inhibition of human butyrylcholinesterase
Cite this Research Publication : D. Karlsson, Fallarero, A., Shinde, P., Anju, C. P., Busygin, I., Leino, R., Dr. Gopi Mohan C., and Vuorela, P., “Chemical modifications of cinchona alkaloids lead to enhanced inhibition of human butyrylcholinesterase”, Natural Product Communications, vol. 9, pp. 455-458, 2014.
Publisher : Natural Product Communications, Natural Product Incorporation,
Year : 2014
Cerium Doped NiO Nanoparticles: A Novel Electrode Material for High Performance Pseudocapacitor Applications
Cite this Research Publication : P. Anjali, Vani, R., Sonia, T. S., Nair, AaSreekumara, Ramakrishna, S., Ranjusha, R., Subramanian, K. R. V., Sivakumar, N., Dr. Gopi Mohan C., Nair, S. V., and Balakrishnan, A., “Cerium Doped NiO Nanoparticles: A Novel Electrode Material for High Performance Pseudocapacitor Applications”, Science of Advanced Materials, vol. 6, pp. 94-101, 2014.
Publisher : Science of Advanced Materials, American Scientific Publishers
Year : 2013
Uridine monophosphate kinase as potential target for tuberculosis: from target to lead identification
Cite this Research Publication : A. A1, V, J., P, S., and Dr. Gopi Mohan C., “Uridine monophosphate kinase as potential target for tuberculosis: from target to lead identification”, Interdisciplinary Sciences: Computational Life Sciences (Springer), vol. 5, pp. 296-311, 2013.
Publisher : Interdisciplinary Sciences: Computational Life Sciences (Springer)
Year : 2013
Molecular defect of ‘Prothrombin Amrita’: Substitution of arginine by glutamine (Arg553 to Gln) near the Na+ binding loop of prothrombin
Cite this Research Publication : S. Sivasundar, Oommen, A. T., Prakash, O., Baskaran, S., Dr. Raja Biswas, Nair, S., Dr. Gopi Mohan C., and Lalitha Biswas, “Molecular defect of 'Prothrombin Amrita': Substitution of arginine by glutamine (Arg553 to Gln) near the Na+ binding loop of prothrombin”, Blood Cells, Molecules, and Diseases, vol. 50, pp. 182-183, 2013.
Publisher : Blood Cells, Molecules, and Diseases
Year : 2012
Homology modeling, molecular dynamics and inhibitor binding study on MurD ligase of Mycobacterium tuberculosis
Cite this Research Publication : Aad Arvind, Kumar, Va, Saravanan, Pb, and Dr. Gopi Mohan C., “Homology modeling, molecular dynamics and inhibitor binding study on MurD ligase of Mycobacterium tuberculosis”, Interdisciplinary Sciences: Computational Life Sciences, vol. 4, pp. 223-238, 2012.
Publisher : Interdisciplinary Sciences: Computational Life Sciences
Year : 2012
Harnessing human N-type Ca2+ channel receptor by identifying the atomic hotspot regions for its structure-based blocker design
Cite this Research Publication : Aab Pandey, P, Jab, Tripathi, S., and Dr. Gopi Mohan C., “Harnessing human N-type Ca2+ channel receptor by identifying the atomic hotspot regions for its structure-based blocker design”, Molecular Informatics, vol. 31, pp. 643-657, 2012.
Publisher : Molecular Informatics
Year : 2012
The exploration of thienothiazines as selective butyrylcholinesterase inhibitors
Cite this Research Publication : Da Karlsson, Fallarero, Aa, Brunhofer, Gab, Mayer, Cb, Prakash, Oc, Dr. Gopi Mohan C., Vuorela, Pa, and Erker, Tb, “The exploration of thienothiazines as selective butyrylcholinesterase inhibitors”, European Journal of Pharmaceutical Sciences, vol. 47, pp. 190-205, 2012.
Publisher : European Journal of Pharmaceutical Sciences
Year : 2012
Exploration of Natural Compounds as Sources of New Bifunctional Scaffolds Targeting Cholinesterases and Beta Amyloid Aggregation: The Case of Chelerythrine
Cite this Research Publication : G. Brunhofer, Fallarero, A., Karlsson, D., Batista-Gonzalez, A., Shinde, P., Dr. Gopi Mohan C., and Vuorela, P., “Exploration of Natural Compounds as Sources of New Bifunctional Scaffolds Targeting Cholinesterases and Beta Amyloid Aggregation: The Case of Chelerythrine”, Bioorganic and Medicinal Chemistry, vol. 20, pp. 6669-6679, 2012.
Publisher : Bioorganic and Medicinal Chemistry
Year : 2011
Synthesis, Biological Evaluation and Molecular Docking Studies of Stellatin Derivatives as Cyclooxygenase (COX-1, COX-2) Inhibitors and Anti-inflammatory Agents
Cite this Research Publication : R. Gautam, Jachak, S. M., Kumar, V., and Dr. Gopi Mohan C., “Synthesis, Biological Evaluation and Molecular Docking Studies of Stellatin Derivatives as Cyclooxygenase (COX-1, COX-2) Inhibitors and Anti-inflammatory Agents”, Bioorganic & Medicinal Chemistry Letters, vol. 21, pp. 1612 - 1616, 2011.
Publisher : Bioorganic Medicinal Chemistry Letters
Year : 2011
Molecular Docking Guided Comparative GFA, G/PLS, SVM and ANN Models of Structurally Diverse Dual Binding Site Acetylcholinesterase Inhibitors
Cite this Research Publication : S. Gupta, Fallarero, A., Vainio, M. J., Saravanan, P., J. Puranen, S., Järvinen, P., Johnson, M. S., Vuorela, P. M., and Dr. Gopi Mohan C., “Molecular Docking Guided Comparative GFA, G/PLS, SVM and ANN Models of Structurally Diverse Dual Binding Site Acetylcholinesterase Inhibitors”, Molecular Informatics, vol. 30, pp. 689-706, 2011.
Publisher : Molecular Informatics
Year : 2011
Impact of Computational Structure-Based Predictive Toxicology in Drug Discovery
Cite this Research Publication : Dr. Gopi Mohan C., “Impact of Computational Structure-Based Predictive Toxicology in Drug Discovery”, Combinatorial Chemistry & High Throughput Screening, vol. 14, pp. 417-426, 2011.
Publisher : Combinatorial Chemistry High Throughput Screening
Year : 2011
Identification of Hotspot Regions of MurB Oxidoreductase Enzyme using Homology Modeling, molecular Dynamics and Molecular Docking Techniques
Cite this Research Publication : V. Kumar, Saravanan, P., Arvind, A., and Dr. Gopi Mohan C., “Identification of Hotspot Regions of MurB Oxidoreductase Enzyme using Homology Modeling, molecular Dynamics and Molecular Docking Techniques”, Journal of Molecular Modeling, vol. 17, pp. 939–953, 2011.
Publisher : Journal of Molecular Modeling
Year : 2011
First Pharmacophore Model of CCR3 Receptor Antagonists and its Homology Model-Assisted, Stepwise Virtual Screening
Cite this Research Publication : V. Jain, Saravanan, P., Arvind, A., and Dr. Gopi Mohan C., “First Pharmacophore Model of CCR3 Receptor Antagonists and its Homology Model-Assisted, Stepwise Virtual Screening”, Chemical Biology & Drug Design, vol. 77, pp. 373-387, 2011.
Publisher : Chemical Biology Drug Design
Year : 2011
Discovery of Dual Binding Site Acetylcholinesterase Inhibitors Identified by Pharmacophore Modeling and Sequential Virtual Screening Techniques
Cite this Research Publication : S. Gupta, Fallarero, A., Järvinen, P., Karlsson, D., Johnson, M. S., Vuorela, P. M., and Dr. Gopi Mohan C., “Discovery of Dual Binding Site Acetylcholinesterase Inhibitors Identified by Pharmacophore Modeling and Sequential Virtual Screening Techniques”, Bioorganic & Medicinal Chemistry Letters, vol. 21, pp. 1105 - 1112, 2011.
Publisher : Bioorganic & Medicinal Chemistry Letters
Year : 2011
Antiobesity and Lipid Lowering Effects of Glycyrrhiza Chalcones: Experimental and Computational Studies
Cite this Research Publication : R. B. Birari, Gupta, S., Dr. Gopi Mohan C., and Bhutani, K. K., “Antiobesity and Lipid Lowering Effects of Glycyrrhiza Chalcones: Experimental and Computational Studies”, Phytomedicine, vol. 18, pp. 795 - 801, 2011.
Publisher : Phytomedicine
Year : 2011
3D-pharmacophore Model Based Virtual Screening to Identify Dual-binding Site and Selective Acetylcholinesterase Inhibitors
Cite this Research Publication : S. Gupta and Dr. Gopi Mohan C., “3D-pharmacophore Model Based Virtual Screening to Identify Dual-binding Site and Selective Acetylcholinesterase Inhibitors”, Medicinal Chemistry Research, vol. 20, pp. 1422–1430, 2011.
Publisher : Medicinal Chemistry Research
Year : 2010
Novel Anti-inflammatory Agents Based on Pyrazole Based Dimeric Compounds; Design, Synthesis, Docking and iin Vivo/i Activity
Cite this Research Publication : A. Kumar Tewari, Srivastava, P., Singh, V. Prakash, Singh, A., Goel, R. Kumar, and Dr. Gopi Mohan C., “Novel Anti-inflammatory Agents Based on Pyrazole Based Dimeric Compounds; Design, Synthesis, Docking and in Vivo Activity”, Chemical and Pharmaceutical Bulletin, vol. 58, pp. 634-638, 2010.
Publisher : Chemical and Pharmaceutical Bulletin
Year : 2010
Molecular modelling and QSAR analysis of some structurally diverse N-type calcium channel blockers
Cite this Research Publication : J. Mungalpara, Pandey, A., Jain, V., and Dr. Gopi Mohan C., “Molecular modelling and QSAR analysis of some structurally diverse N-type calcium channel blockers”, Journal of Molecular Modeling, vol. 16, pp. 629–644, 2010.
Publisher : Journal of Molecular Modeling
Year : 2010
Mitogen Activated Protein Kinase 4 of Leishmania Parasite as a Therapeutic Target
Cite this Research Publication : P. Saravanan, Venkatesan, S. K., Dr. Gopi Mohan C., Patra, S., and Dubey, V. Kumar, “Mitogen Activated Protein Kinase 4 of Leishmania Parasite as a Therapeutic Target”, European Journal of Medicinal Chemistry, vol. 45, pp. 5662 - 5670, 2010.
Publisher : European Journal of Medicinal Chemistry
Year : 2010
Miniaturization and Validation of the Ellman’s Reaction Based Acetylcholinesterase Inhibitory Assay into 384-Well Plate Format and Screening of a Chemical Library
Cite this Research Publication : P. P. Jarvinen, Fallarero, A., Gupta, S., Dr. Gopi Mohan C., Hatakka, A. I., and Vuorela, P. M., “Miniaturization and Validation of the Ellman's Reaction Based Acetylcholinesterase Inhibitory Assay into 384-Well Plate Format and Screening of a Chemical Library”, Combinatorial Chemistry & High Throughput Screening, vol. 13, pp. 278-284, 2010.
Publisher : Combinatorial Chemistry High Throughput Screening
Year : 2010
Ligand-based molecular design of 4-benzylpiperidinealkylureas and amides as CCR3 antagonists
Cite this Research Publication : V. Jain, Pandey, A., Gupta, S., and Dr. Gopi Mohan C., “Ligand-based molecular design of 4-benzylpiperidinealkylureas and amides as CCR3 antagonists”, Journal of Molecular Modeling, vol. 16, pp. 669–676, 2010.
Publisher : Journal of Molecular Modeling
Year : 2010
Homology modeling and atomic level binding study of Leishmania MAPK with inhibitors
Cite this Research Publication : M. Awale, Kumar, V., Saravanan, P., and Dr. Gopi Mohan C., “Homology modeling and atomic level binding study of Leishmania MAPK with inhibitors”, Journal of Molecular Modeling, vol. 16, pp. 475–488, 2010.
Publisher : Journal of Molecular Modeling
Year : 2010
Comparative molecular field analysis and comparative molecular similarity indices analysis of hydroxyethylamine derivatives as selective human BACE-1 inhibitor
Cite this Research Publication : A. Pandey, Mungalpara, J., and Dr. Gopi Mohan C., “Comparative molecular field analysis and comparative molecular similarity indices analysis of hydroxyethylamine derivatives as selective human BACE-1 inhibitor”, Molecular Diversity, vol. 14, pp. 39–49, 2010.
Publisher : Molecular Diversity
Year : 2010
Biological Evaluation and Molecular Docking of Aryl Hydrazines and Hydrazides for Anticancer Activity
Cite this Research Publication : Dr. Gopi Mohan C., SK, A., AK, S., and D, G., “Biological Evaluation and Molecular Docking of Aryl Hydrazines and Hydrazides for Anticancer Activity”, Indian Journal of Experimental Biology, vol. 48, pp. 265-268, 2010.
Publisher : Indian Journal of Experimental Biology
Year : 2010
Novel Anti-inflammatory Agents Based on Pyrazole Based Dimeric Compounds; Design, Synthesis, Docking and in Vivo Activity
Cite this Research Publication :
A. Kumar Tewari, Srivastava, P., Singh, V. Prakash, Singh, A., Goel, R. Kumar, and Dr. Gopi Mohan C., “Novel Anti-inflammatory Agents Based on Pyrazole Based Dimeric Compounds; Design, Synthesis, Docking and in Vivo Activity”, Chemical and Pharmaceutical Bulletin, vol. 58, pp. 634-638, 2010.
Publisher : Chemical and Pharmaceutical Bulletin
Year : 2008, 2018
Preparation, characterization and efficacy of lysostaphin-chitosan gel against Staphylococcus aureus
Cite this Research Publication : S. Nithya, Nimal, T. R., Baranwal, G., Suresh, M. K., C.P., A., V. Kumar, A., Dr. Gopi Mohan C., Dr. Jayakumar Rangasamy, and Dr. Raja Biswas, “Preparation, Characterization and Efficacy of Lysostaphin-chitosan Gel Against Staphylococcus Aureus”, International Journal of Biological Macromolecules, 2018.
Publisher : International Journal of Biological Macromolecules
Year : 2008
Therapeutic Potential of Voltage Gated Calcium Channels
Cite this Research Publication : Dr. Gopi Mohan C. and Gandhi, T., “Therapeutic Potential of Voltage Gated Calcium Channels”, Mini Reviews in Medicinal Chemistry, vol. 8, pp. 1285-1290, 2008.
Publisher : Mini Reviews in Medicinal Chemistry
Year : 2008
Molecular Docking Guided 3D-QSAR CoMFA Analysis of N-4-Pyrimidinyl-1H-indazol-4-amine Inhibitors of leukocyte-specific Protein Tyrosine Kinase
Cite this Research Publication : M. Awale and Dr. Gopi Mohan C., “Molecular Docking Guided 3D-QSAR CoMFA Analysis of N-4-Pyrimidinyl-1H-indazol-4-amine Inhibitors of leukocyte-specific Protein Tyrosine Kinase”, Journal of Molecular Modeling, vol. 14, pp. 937–947, 2008.
Publisher : Journal of Molecular Modeling
Year : 2008
Inhibition of Acetylcholinesterase by Coumarins: The Case of Coumarin 106
Cite this Research Publication : A. Fallarero, Oinonen, P., Gupta, S., Blom, P., Galkin, A., Dr. Gopi Mohan C., and Vuorela, P. M., “Inhibition of Acetylcholinesterase by Coumarins: The Case of Coumarin 106”, Pharmacological Research, vol. 58, pp. 215 - 221, 2008.
Publisher : Pharmacological Research
Year : 2008
Exploring QSTR and toxicophore of hERG K+ channel blockers using GFA and HypoGen techniques
Cite this Research Publication : D. Garg, Gandhi, T., and Dr. Gopi Mohan C., “Exploring QSTR and toxicophore of hERG K+ channel blockers using GFA and HypoGen techniques”, Journal of Molecular Graphics and Modelling, vol. 26, pp. 966 - 976, 2008.
Publisher : Journal of Molecular Graphics and Modelling
Year : 2008
3D-QSAR CoMFA Analysis of C5 Substituted Pyrrolotriazines as HER2 (ErbB2) Inhibitors
Cite this Research Publication : M. Awale and Dr. Gopi Mohan C., “3D-QSAR CoMFA Analysis of C5 Substituted Pyrrolotriazines as HER2 (ErbB2) Inhibitors”, Journal of Molecular Graphics and Modelling, vol. 26, pp. 1169 - 1178, 2008.
Publisher : Journal of Molecular Graphics and Modelling