A. Balupuri

发表

3D QSAR modeling study on 7-aminofuro [2,3-c] pyridine derivatives as TAK1 inhibitors using CoMFA and COMSIA

Seung Joo Cho, Anand Balupuri, Pavithra K. Balasubramanian, 2014, Medicinal Chemistry Research.

Theoretical Characterization of Binding Mode of Organosilicon Inhibitor with p38: Docking, MD Simulation and MM/GBSA Free Energy Approach

A. Balupuri, C. G. Gadhe, S. Cho, 2014 .

3D-QSAR, docking, molecular dynamics simulation and free energy calculation studies of some pyrimidine derivatives as novel JAK3 inhibitors

P. K. Balasubramanian, A. Balupuri, S. Cho, 2017 .

Determination of structural requirements of Mer kinase inhibitors and binding interaction analysis using in silico approaches

P. K. Balasubramanian, A. Balupuri, S. Cho, 2016, Medicinal Chemistry Research.

In silico design of peptidomimetics for PKC-β II inhibition: perspectives for diabetic cardiomyopathy therapy

A. Balupuri, M. E. Sobhia, Shishir Rohit, 2013, Medicinal Chemistry Research.

Computational insights into the role of α-strand/sheet in aggregation of α-synuclein

A. Balupuri, N. Kang, Kwang-Eun Choi, 2019, Scientific Reports.

In silico characterization of binding mode of CCR8 inhibitor: homology modeling, docking and membrane based MD simulation study

A. Balupuri, C. G. Gadhe, S. Cho, 2015, Journal of biomolecular structure & dynamics.

Topological Water Network Analysis Around Amino Acids

A. Balupuri, N. Kang, Kwang-Eun Choi, 2019, Molecules.

Design of a Novel and Selective IRAK4 Inhibitor Using Topological Water Network Analysis and Molecular Modeling Approaches

A. Balupuri, Sungwook Choi, N. Kang, 2018, Molecules.

Pharmacophoric Site Identification and Inhibitor Design for Autotaxin

A. Balupuri, N. Kang, Myeong Hwi Lee, 2019, Molecules.

Development of 3D-pharmacophore model followed by successive virtual screening, molecular docking and ADME studies for the design of potent CCR2 antagonists for inflammation-driven diseases

R. Singh, A. Balupuri, M. E. Sobhia, 2013 .

Molecular modeling study on Mer kinase inhibitors using 3D-QSAR and docking approaches

P. K. Balasubramanian, A. Balupuri, S. Cho, 2015, Medicinal Chemistry Research.

Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach

P. K. Balasubramanian, A. Balupuri, S. Cho, 2015, Archives of Pharmacal Research.

In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study

P. K. Balasubramanian, A. Balupuri, C. G. Gadhe, 2013, Archives of Pharmacal Research.

In silico design of peptidomimetics for PKC-β II inhibition: perspectives for diabetic cardiomyopathy therapy

A. Balupuri, M. E. Sobhia, Shishir Rohit, 2013, Medicinal Chemistry Research.

High-Throughput Platform for Real-Time Monitoring of ATP-generating Enzymes in Living Cells Based on a Lanthanide Probe.

A. Balupuri, M. Gabr, N. Kang, 2020, ACS sensors.

Enzyme Kinetics and Molecular Docking Studies on Cytochrome 2B6, 2C19, 2E1, and 3A4 Activities by Sauchinone

A. Balupuri, Y. Choi, Y. Chin, 2018, Molecules.

Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach

Seung Joo Cho, Anand Balupuri, P. K. Balasubramanian, 2016, Archives of pharmacal research.

3D-QSAR-aided design of potent c-Met inhibitors using molecular dynamics simulation and binding free energy calculation

P. K. Balasubramanian, A. Balupuri, S. Cho, 2018, Journal of biomolecular structure & dynamics.

Exploring a model of human chemokine receptor CCR2 in presence of TAK779: A membrane based molecular dynamics study

A. Balupuri, M. E. Sobhia, M. Sobhia, 2014 .

Aggregation Mechanism of Alzheimer’s Amyloid β-Peptide Mediated by α-Strand/α-Sheet Structure

A. Balupuri, N. Kang, Kwang-Eun Choi, 2020, International journal of molecular sciences.

3D-QSAR studies on disubstituted dibenzosuberone derivatives as p38α MAP kinase inhibitors using CoMFA and COMSIA

P. K. Balasubramanian, A. Balupuri, S. Cho, 2016, Medicinal Chemistry Research.

Discovery and optimization of ATX inhibitors via modeling, synthesis and biological evaluation.

A. Balupuri, N. Kang, T. Koo, 2018, European journal of medicinal chemistry.

Design, synthesis, docking and biological evaluation of 4-phenyl-thiazole derivatives as autotaxin (ATX) inhibitors.

A. Balupuri, N. Kang, Myeong Hwi Lee, 2017, Bioorganic & medicinal chemistry letters.

Molecular Modeling Studies of Trisubstituted Thiazoles as Cdc7 Kinase Inhibitors through 3D-QSAR and Molecular Docking Simulation

Seung Joo Cho, Anand Balupuri, Pavithra K. Balasubramanian, 2015 .

3D QSAR Studies of Mps1 (TTK) Kinase Inhibitors Based on CoMFA

P. K. Balasubramanian, A. Balupuri, S. Cho, 2016 .

A CoMFA Study of Phenoxypyridine-Based JNK3 Inhibitors Using Various Partial Charge Schemes

P. K. Balasubramanian, A. Balupuri, S. Cho, 2014 .

Inhibition of β-site amyloid precursor protein cleaving enzyme 1 and cholinesterases by pterosins via a specific structure−activity relationship with a strong BBB permeability

S. Hong, A. Balupuri, G. Park, 2019, Experimental & Molecular Medicine.

3D-QSAR Assisted Design of Novel 7-Deazapurine Derivatives as TNNI3K Kinase Inhibitors Using Molecular Docking and Molecular Dynamics Simulation

P. K. Balasubramanian, A. Balupuri, S. Cho, 2020 .

In silico study of 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl) ethanones derivatives as CCR1 antagonist: homology modeling, docking and 3D-QSAR approach.

Seung Joo Cho, Anand Balupuri, Gugan Kothandan, 2014, Bioorganic & medicinal chemistry letters.

The Study on the hERG Blocker Prediction Using Chemical Fingerprint Analysis

Kwang-Eun Choi, Anand Balupuri, Nam Sook Kang, 2020, Molecules.

In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study

P. K. Balasubramanian, A. Balupuri, C. G. Gadhe, 2014, Archives of pharmacal research.

Small Molecule Inhibitors of DYRK1A Identified by Computational and Experimental Approaches

A. Balupuri, N. Kang, Kwang-Eun Choi, 2020, International journal of molecular sciences.

Molecular Docking Studies of p21-Activated Kinase-1 (PAK1) Inhibitors

P. K. Balasubramanian, A. Balupuri, S. Cho, 2016 .

Receptor-guided 3D-QSAR studies, molecular dynamics simulation and free energy calculations of Btk kinase inhibitors

Seung Joo Cho, Hee-Young Kang, Anand Balupuri, 2017, BMC Systems Biology.

Ligand-Based CoMFA Study on Pyridylpyrazolopyridine Derivatives as PKCθ Kinase Inhibitors

P. K. Balasubramanian, A. Balupuri, S. Cho, 2014 .

3D-QSAR study of tetrahydro-3H-imidazo[4,5-c]pyridine derivatives as VEGFR-2 kinase inhibitors using various charge schemes

P. K. Balasubramanian, A. Balupuri, S. Cho, 2015, Archives of pharmacal research.

3D-QSAR study of tetrahydro-3H-imidazo[4,5-c]pyridine derivatives as VEGFR-2 kinase inhibitors using various charge schemes

P. K. Balasubramanian, A. Balupuri, S. Cho, 2015, Archives of Pharmacal Research.

Computational insights into the role of α-strand/sheet in aggregation of α-synuclein

A. Balupuri, N. Kang, Kwang-Eun Choi, 2019, Scientific Reports.

3D QSAR modeling study on 7-aminofuro [2,3-c] pyridine derivatives as TAK1 inhibitors using CoMFA and COMSIA

P. K. Balasubramanian, A. Balupuri, C. G. Gadhe, 2015, Medicinal Chemistry Research.

A CoMFA Study of Glycogen Synthase Kinase 3 Inhibitors

P. K. Balasubramanian, A. Balupuri, S. Cho, 2015 .

Structural insights into the ligand-binding hot spots of APEX1: an in silico analysis

P. K. Balasubramanian, A. Balupuri, S. Cho, 2015, Medicinal Chemistry Research.

TWN-FS method: A novel fragment screening method for drug discovery

A. Balupuri, Hye Ree Yoon, Gyoung Jin Park, 2023, Computational and structural biotechnology journal.

Design, synthesis of new 3H-imidazo[4,5-b]pyridine derivatives and evaluation of their inhibitory properties as mixed lineage kinase 3 inhibitors

A. Balupuri, Hye Ree Yoon, Nam Sook Kang, 2024, Bioorganic & Medicinal Chemistry Letters.

In silico characterization of binding mode of CCR8 inhibitor: homology modeling, docking and membrane based MD simulation study

A. Balupuri, C. G. Gadhe, S. Cho, 2015, Journal of biomolecular structure & dynamics.

Comparative Molecular Field Analysis of Pyrrolopyrimidines as LRRK2 Kinase Inhibitors

P. K. Balasubramanian, A. Balupuri, S. Cho, 2016 .

The nociceptin receptor (NOPR) and its interaction with clinically important agonist molecules: a membrane molecular dynamics simulation study.

A. Balupuri, C. G. Gadhe, S. Cho, 2014, Molecular bioSystems.