Publications by authors named "Kalirajan Rajagopal"

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Targeting TNBC metastasis: In-silico identification of natural origin ROCK inhibitors via virtual screening, ADMET profiling, MM-GBSA, DFT, and molecular dynamics.
Krishna Shevate, Kalirajan Rajagopal, Gowramma Byran, Apsara Unni, Justin Antony

Comput Biol Chem· February 2026

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Structure-based identification of triazole-based PARP1 inhibitors: insights from docking and molecular dynamics simulations.
Hardha Balachandran, Gowramma Byran, Veera Venkata Satyanarayana Reddy Karri, Senthil Kumar Murugesan, Kalirajan Rajagopal

J Recept Signal Transduct Res· December 2025

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Imidazole-Based Metal Complex Derivatives: A Comprehensive Overview of Synthesis and Biological Applications.
Arpita F Hiremath, M R Pradeep Kumar, Kalirajan Rajagopal, Rashu Barua, Safia Obaidur Rab

Med Chem· December 2025

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Breaking Barriers in Breast Cancer: Multi-Targeted Therapeutic Insights.
Apsara Unni, Kalirajan Rajagopal, Krishna Shevate, Gowramma Byran

Mini Rev Med Chem· October 2025

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Understanding DNA and PARP in Cancer: Tackling Inhibitor Resistance.
Hardha Balachandran, Gowramma Byran, Veera Venkata Satyanarayana Reddy Karri, Senthil Kumar Murugesan, Kalirajan Rajagopal

Drug Metab Bioanal Lett· October 2025

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Gene network analysis combined with preclinical studies to identify and elucidate the mechanism of action of novel irreversible Keap1 inhibitor for Parkinson's disease.
Monisha Arumugam, Ranjith Sanjeeve Pachamuthu, Emdormi Rymbai, Aditya Prakash Jha, Kalirajan Rajagopal

Mol Divers· June 2025

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Targeting signaling pathways in neurodegenerative diseases: Quercetin's cellular and molecular mechanisms for neuroprotection.
Md Rezaul Islam, Md Ibrahim Khalil Al-Imran, Mehrukh Zehravi, Sherouk Hussein Sweilam, Mohammad Rakib Mortuza, Kalirajan Rajagopal

Animal Model Exp Med· May 2025

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Understanding Tankyrase Inhibitors and Their Role in the Management of Different Cancer.
Sinjini Das, Gowramma Byran, Kaushik Biswas, Kalirajan Rajagopal

Curr Cancer Drug Targets· January 2025

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Exploring Pyridine-Based Schemes: A Comprehensive Review on their Synthesis and Therapeutic Applications.
Amruta M Balikai, M R Pradeep Kumar, Kalirajan Rajagopal, Mohammed Ali Alshehri, Safia Obaidur Rab

Med Chem· January 2025

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Side effects based network construction and drug repositioning of ropinirole as a potential molecule for Alzheimer's disease: an , , and study.
Amritha Chakkittukandiyil, Saurav Chakraborty, Ram Kothandan, Emdormi Rymbai, Santhosh Kumar Muthu, Kalirajan Rajagopal

J Biomol Struct Dyn· November 2024

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Phytoconstituents of Citrus limon (Lemon) as Potential Inhibitors Against Multi Targets of SARS-CoV-2 by Use of Molecular Modelling and In Vitro Determination Approaches.
Kannan Raman, Rajagopal Kalirajan, Fahadul Islam, Srikanth Jupudi, Divakar Selvaraj

ChemistryOpen· October 2024

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Insights into the Biological Activities and Substituent Effects of Pyrrole Derivatives: The Chemistry-Biology Connection.
B S Manya, M R Pradeep Kumar, Kalirajan Rajagopal, Md Abul Hassan, Safia Obaidur Rab

Chem Biodivers· August 2024

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Network-based drug repositioning of linagliptin as a potential agent for uterine fibroids targeting transforming growth factor-beta mediated fibrosis.
Anusha Shreenidhi Bhat, Amritha Chakkittukandiyil, Santhosh Kumar Muthu, Satvik Kotha, Sudharsan Muruganandham, Kalirajan Rajagopal

Biochem Biophys Res Commun· April 2024

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Molecular Docking, MM-GBSA, and Molecular Dynamics Approach: 5-MeO-DMT Analogues as Potential Antidepressants.
Rajagopal Kalirajan, Khare Rishabh, Jupudi Srikanth, Modi Niharika, Negi Preeya

Arch Razi Inst· October 2023

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An Update on Poly(ADP-ribose) Polymerase I-A Brief Review.
Preeya Negi, Kaviarasan Lakshmanan, Praveen Kumar Patel, Kalirajan Rajagopal, Gowramma Byran

Mini Rev Med Chem· September 2023

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Drug target of natural products and COVID-19: how far has science progressed?
Kannan Raman, Kalirajan Rajagopal, B Ramesh, P Kumar Nallasivan, M K Mohan M Raja

Ann Med Surg (Lond)· June 2023

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Revisiting the South Indian Traditional Plants against Several Targets of SARS-CoV-2 - An Approach.
Srikanth Jupudi, Srikala Rajala, Narasimha Rao Gaddam, Gomathi Swaminathan, Jaya Preethi Peesa, Kalirajan Rajagopal

Curr Comput Aided Drug Des· May 2023

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Drug Design of Anti-Breast Cancer Agents.
Kalirajan Rajagopal, Anandarajagopal Kalusalingam, Anubhav Raj Bharathidasan, Aadarsh Sivaprakash, Krutheesh Shanmugam

Molecules· May 2023

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Ceftriaxone induces glial EAAT-2 promotor region via NF-kB conformational changes: An interaction analysis using HADDOCK.
Gaddam Narasimha Rao, Srikanth Jupudi, Pradeep Pant, Nagarjuna Palathoti, Kalirajan Rajagopal

J Cell Biochem· March 2023

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Discovery of potential inhibitors for stat3: ligand based 3D pharmacophore, virtual screening, molecular docking, dynamic studies and evaluation.
Kaviarasan Lakshmanan, Praveen T K, Sreedhara Ranganath K Pai, Kalirajan Rajagopal, Gowramma Byran

J Biomol Struct Dyn· December 2022

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Identification of Papain-Like Protease inhibitors of SARS CoV-2 through HTVS, Molecular docking, MMGBSA and Molecular dynamics approach.
Srikanth Jupudi, Kalirajan Rajagopal, Sankaranarayanan Murugesan, Banoth Karan Kumar, Kannan Raman

S Afr J Bot· December 2022

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Acridine as an Anti-Tumour Agent: A Critical Review.
Potlapati Varakumar, Kalirajan Rajagopal, Baliwada Aparna, Kannan Raman, Gowramma Byran

Molecules· December 2022

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A Review on Acridines as Antiproliferative Agents.
Aparna Baliwada, Kalirajan Rajagopal, Potlapati Varakumar, Kannan Raman, Gowramma Byran

Mini Rev Med Chem· September 2022

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Role of natural products towards the SARS-CoV-2: A critical review.
Kannan Raman, Kalirajan Rajagopal, Fahadul Islam, Manish Dhawan, Saikat Mitra

Ann Med Surg (Lond)· August 2022

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Pyrazole Substituted 9-Anilinoacridines as HER2 Inhibitors Targeting Breast Cancer - An in-silico approach.
Kalirajan Rajagopal, Vulsi Bodhya Sri, Gowramma Byran, Swaminathan Gomathi

Curr Drug Res Rev· May 2022

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