Pharmacology, Toxicology and Pharmaceutics, Neuroscience, Pharmacology, Toxicology and Pharmaceutics
19
Scopus Publications
26
Scholar Citations
3
Scholar h-index
Scopus Publications
Analytical method development for simultaneous estimation of kojic acid, ascorbic acid and niacinamide in cosmetics and its validation Vishnu Venkatesan, Gayatri Sukumaran, R. Lakshmi Sundaram, Chetan Ashok, S. Devaraja Dravida Pandiyan, Srikanth Jeyabalan, Mahendran Sekar, Ling Shing Wong, Vetriselvan Subramaniyan BMC Chemistry, 2026 A novel HPLC method was developed and validated for the concurrent measurement of kojic acid, ascorbic acid, and niacinamide in cosmetic formulations. Using methanol and 0.1% acetic acid gradient elution on a C18 column, the method enables efficient separation and quantification of all three active components within 15 min, markedly improving analytical speed and solvent economy compared to previous approaches. Rigorous method validation demonstrated outstanding precision, specificity, linearity (r2 > 0.99), and robustness were developed in accordance with ICH criteria with the system appropriateness factors, like the tailing factor and theoretical plate count, consistently meeting acceptance criteria. The limits of detection were as low as kojic acid (0.06 µg/mL), niacinamide (0.10 µg/mL), and ascorbic acid (0.15 µg/mL), while percent recoveries for all analytes ranged between 98% and 102% at multiple concentration levels, confirming accuracy. Repeatability and intermediate precision (%RSD < 2%) were upheld across replicate assays, underlining the method’s reliability for routine quality control. The unique advantage of this method lies in its simultaneous, rapid assessment of multi-functional vitamins and antioxidants common to cosmetics, streamlining regulatory compliance and product development. This robust protocol provides a practical solution for manufacturers and research laboratories seeking fast, precise, and economical analysis of active ingredients in commercial skincare products.
Unravelling the multi-target mechanism of methoxylated flavonoids in Parkinson's disease: Insights from network pharmacology and molecular dynamics Chetan Ashok, Srikanth Jeyabalan, Parasuraman Pavadai, Vignesh M, Devaraja Dravida Pandiyan S, Durga Mohan, Revathi Sugumar, Ramya Sugumar, Sugin Lal Jabaris, Vetriselvan Subramaniyan, Ling Shing Wong, Mahendran Sekar Toxicology Reports, 2026 Current therapy for Parkinson's disease (PD), a neurodegenerative disorder that progresses over time marked by protein aggregation, dopaminergic neuronal death and oxidative stress, only provides symptomatic alleviation. By using an integrative computational strategy that combines molecular dynamics simulations, molecular docking and network pharmacology, this study sought for the investigation of the neuroprotective potential of methoxylated flavonoids (MFs). Drug-likeness and ADMET profiling of ten MFs revealed favorable pharmacokinetics, including good oral bioavailability and low predicted toxicity. Network pharmacology identified 172 putative targets, of which 118 overlapped with PD-associated genes, highlighting the multi-targeted nature of these compounds. Protein–protein interaction analysis revealed important hub proteins like HSP90AA1, MMP9, GSK-3β and AKT1 involved in neurodegeneration, oxidative stress regulation, and apoptotic signaling. Analysis of KEGG and GO pathway enrichment revealed significant modulation of the signaling pathway PI3K-Akt and the cellular elements necessary for neuronal survival and repair. Molecular docking revealed high-affinity interactions of Eupatilin and Norwogonin with key PD targets, particularly HSP90AA1 and MMP9. Molecular dynamics simulations confirmed the Eupatilin–HSP90AA1 complex's stability over a 100 ns period, indicating stable interactions and minimal conformational fluctuations. These findings suggest that methoxylated flavonoids possess multi-target therapeutic potential against PD by modulating interconnected neuroprotective pathways. However, as the results are predictive in nature, confirming their translational value requires experimental confirmation through in vitro and in vivo research. Study highlights Eupatilin as a potential lead substance for additional pharmacological research aimed at disease modification in Parkinson’s disease. • Methoxy flavonoids show multi-target neuroprotective potential against PD. • Network analysis identified 118 shared targets, highlighting HSP90AA1 and MMP9. • Flavonoids modulate PI3K-Akt signaling, apoptosis, and oxidative stress in PD. • Eupatilin shows strong, stable binding to HSP90AA1 in 100 ns MD simulations. • These compounds hold promise as multi-target agents for modifying PD progression.
Exploring the Inhibitory Potential of Podolactone B against Human Acetylcholinesterase: A Docking Study Ashif Bahrudeen, Naveen Kumar Rajasekaran, Chetan Ashok, J Srikanth, Logeshwari B, Sivaraman Dhanasekaran, Mahendran Sekar, Ling Shing Wong, Vetriselvan Subramaniyan Turkish Computational and Theoretical Chemistry, 2025 In this work, a novel therapeutic drug for treating Alzheimer's disease is molecularly simulated. The cholinergic hypothesis is the treatment approach used in this investigation. With a substance derived from the natural podocarpus derivative Podolactone B. The goal was to alter cholinergic activity by inhibiting Acetylcholinesterase. The study was performed In-silico Molecular docking in AutoDock Vina, performed on Galantamine and Podolactone B against the Crystal Structure of Human Acetylcholinesterase and PyMOL software was used to investigate the binding mode and interaction of the ligand with the receptor. Molecular dynamics in Gromacs software, the trajectory of stimulation was examined using a variety of tools, including the radius of gyration (RG), solvent accessible surface area (SASA), hydrogen bonding, protein root mean square deviation (RSMD), and root mean square fluctuation (RMSF), to study structural and dynamic properties of the simulated system, such as its overall shape flexibility and interaction with surrounding solvent. MMPBSA simulations were performed on the complex of target. To ascertain the binding affinity and the contributions of various energy terms to the total binding energy for inhibition, the resulting energy components were examined. This study shows that Podolactone B has a good binding affinity might operate as an acetylcholinesterase inhibitor.
Molecular Docking and Molecular Dynamics of Asiaticoside and Neoandrographolide as hDHFR Inhibitors for Breast Cancer Prevention Revathi Sugumar, Srikanth Jeyabalan, Durga Mohan, Chetan Ashok, Aarthi Selvaraj, Arul Kumaran, Mounika Raja, Manimaran Bhaskaran, Mahendran Sekar, Ling Shing Wong, M. Yasmin Begum, Vetriselvan Subramaniyan Chemistryselect, 2025 Breast cancer is the most prevalent cancer among women worldwide and is often associated with the overexpression of nuclear receptors. Despite advances, effective treatments to curb breast cancer cell proliferation remain limited. Human dihydrofolate reductase (hDHFR) is a key enzyme in folate metabolism, and its inhibition leads to reduced tetrahydrofolate levels, impairing DNA synthesis and causing cell death. Methotrexate, a known hDHFR inhibitor, is effective but associated with adverse side effects. In this study, we employed molecular docking, ADMET prediction, and molecular dynamics (MD) simulations to identify novel hDHFR inhibitors. Fourteen plant‐derived compounds, identified through literature review, were evaluated for their binding affinity to hDHFR. Several compounds demonstrated stronger binding than methotrexate by interacting with key active‐site residues and showing favorable molecular orientations. Lipinski's rule and ADMET profiling were used to assess drug‐likeness and safety. Asiaticoside (PubChem CID: 11954171) and neoandrographolide, in particular, exhibited high binding affinity, favorable ADMET properties, and stability in MD simulations, suggesting strong interaction with the hDHFR active site and slight conformational effects on the enzyme. This study is the first to report asiaticoside and neoandrographolide as potential hDHFR inhibitors, highlighting their promise for further development in breast cancer therapy.
Comparative evaluation of MPTP and rotenone as inducing agents for Parkinson's disease in adult zebrafish: Behavioural and histopathological insights Chetan Ashok, Naveen Kumar Rajasekaran, Srikanth Jeyabalan, Gayathri Veeraraghavan, Subalakshmi Suresh, Ramya Sugumar, Sugin Lal Jabaris, Vetriselvan Subramaniyan, Ling Shing Wong Toxicology Reports, 2025 Parkinson's disease (PD), a prevalent neurodegenerative disorder, is marked by dopaminergic neuron loss and motor impairments. This study aimed to establish and compare PD models in adult zebrafish using two neurotoxins, MPTP and rotenone, evaluating their impact on behaviour and histopathology. Zebrafish were exposed to MPTP via intraperitoneal injection at two different doses or to rotenone in water for 21 days. Behavioural assessments, including Novel Tank Diving Test, bradykinesia, and C-bend response, revealed progressive motor and anxiety-like impairments, with rotenone exhibiting stronger locomotor effects. Histopathological analyses confirmed dose-dependent neurodegeneration in brain regions, with MPTP showing localized damage and rotenone causing widespread but milder effects. While both neurotoxins induced PD-like phenotypes, rotenone produced more pronounced locomotor deficits, whereas MPTP triggered anxiety-like symptoms. In conclusion, our study demonstrates that MPTP induces significant locomotor dysfunction along with anxiety-like symptoms, while rotenone strongly impacts locomotion with mild anxiety effects. Both neurotoxins exhibited maximum effects at their highest doses and over a similar time frame (Day 14 to Day 22). These findings highlight the distinct neurotoxic mechanisms of MPTP and rotenone and their relevance in modelling PD pathogenesis. The zebrafish model provides a robust platform for studying neurodegenerative diseases and testing therapeutic interventions. Further studies are required to explore the molecular mechanisms underlying their neurotoxic effects and to validate these models for long-term and translational research. • Comparative, side-by-side neurobehavioral and histopathological analysis of MPTP and rotenone administration in zebrafish to model Parkinson’s disease. • Distinct behavioural impairments were observed in both the neurotoxins. MPTP induced anxiety-like symptoms, while rotenone caused locomotor deficits. • Chronic exposure revealed a dose-dependent neurodegeneration in zebrafish brain regions in both MPTP and rotenone. • Rotenone exposure produced more severe bradykinesia and C-bend impairments than MPTP. • Study provides optimized zebrafish protocols for future neurotoxicological and selection of PD model for future research on Parkinson’s disease.
Comparative neurotoxicity of Bisphenol-A and aluminum chloride in adult zebrafish: Behavioral disruption and region-specific neuropathology under chronic exposure Logeshwari B, Srikanth Jeyabalan, Gayathri Veeraraghavan, Krishnaraj Kaliaperumal, Chetan Ashok, Naveen Kumar Rajasekaran, Ling Shing Wong, Vetriselvan Subramaniyan, Mahendran Sekar Toxicology Reports, 2025 The escalating environmental presence of neuroactive pollutants such as Bisphenol-A (BPA) and aluminum chloride (AlCl₃) raises critical concerns regarding their long-term effects on cognitive health. This study presents a comparative neurotoxicity model using adult zebrafish ( Danio rerio ) exposed to a 21-day static immersion protocol with environmentally relevant doses (2 and 4 mg/L). Neurobehavioral changes were assessed using the novel tank diving test (NTDT) and a color-based T-maze, combined with detailed histopathological scoring. BPA induced markedly stronger neurobehavioral and neuropathological effects than AlCl₃. BPA exposure caused dose-dependent reductions in swim velocity and distance travelled, heightened anxiety-like behavior, and cognitive inflexibility with reduced exploratory transitions and spatial learning. Histology revealed extensive vacuolation, neuronal pyknosis, and perineural congestion in the telencephalic and diencephalic regions, confirming widespread neurodegeneration. In contrast, AlCl₃ produced moderate impairments, with neuropathology primarily confined to the cerebellum and thalamus. These differential effects suggest distinct mechanisms: BPA may disrupt synaptic plasticity and hypothalamic–pituitary–interrenal (HPI) axis signaling, whereas AlCl₃ likely involves mitochondrial dysfunction and tauopathy. By integrating behavioral phenotyping with region-specific neuropathology, this model highlights the translational relevance of adult zebrafish for regulatory toxicology and human health risk assessment of aquatic neurotoxicants. • Comparative, side-by-side evaluation of Bisphenol-A (BPA) and Aluminum chloride (AlCl₃) neurotoxicity using adult zebrafish. • BPA exposure induced pronounced anxiety-like behavior, cognitive impairment, and hypoactivity in a dose-dependent manner. • AlCl₃ exposure caused moderate behavioral alterations with region-specific neurodegeneration in the cerebellum and thalamus. • Histopathological analysis confirmed widespread neuronal damage in BPA groups, especially in the telencephalon and diencephalon. • The study presents an optimized chronic zebrafish model for evaluating environmental neurotoxicants under realistic exposure conditions.
Medicinal plants for obsessive-compulsive disorder: A review of phytotherapeutic approaches S Jeyabalan, V Subramaniyan, A Balu, LS Wong, M Sekar, C Ashok Journal of Psychiatric Research , 2026 2026
Pathophysiological impacts of lifestyle transitions on obesity: A molecular overview of metabolic dynamics V Subramaniyan, R Logesh, S Jeyabalan, V Chitra, M Gupta, YS Wu, ... Obesity Medicine, 100705 , 2026 2026 Citations: 1
A Novel Sustained-Release In-Situ Implant of Fluvoxamine Ameliorates Depressive-Like Behaviours in a CUMS Mouse Model CA Sruthi. S, Gopinath. S, Meriton Stanley A, Satheesh Kumar S, Gayathri ... Current Trends in Biotechnology and Pharmacy 20 (2), 2882-2891 , 2026 2026
Unravelling the multi-target mechanism of methoxylated flavonoids in Parkinson's disease: Insights from network pharmacology and molecular dynamics C Ashok, S Jeyabalan, P Pavadai, D Mohan, R Sugumar, R Sugumar, ... Toxicology Reports, 102248 , 2026 2026
Analytical method development for simultaneous estimation of kojic acid, ascorbic acid and niacinamide in cosmetics and its validation V Venkatesan, G Sukumaran, RL Sundaram, C Ashok, SDD Pandiyan, ... BMC chemistry , 2026 2026
In silico identification of potential inhibitors from fenugreek against the pro-inflammatory cytokine IL-17 and its receptor V Lavu, S Devi, DM Ravindran, S Nandhini, SDD Pandiyan, S Jeyabalan, ... Odontology 114 (1), 308-318 , 2026 2026 Citations: 1
Exploring the Therapeutic Potential: Molecular Docking and Dynamics Studies of Lethal Factor Protease Inhibitors Targeting Bacillus Anthracis RA Kamatham Sravani, Chetan Ashok, Yallamati Mahesh Babu Turkish Computational and Theoretical Chemistry 9 (5), 197-206 , 2025 2025
Molecular Docking and Molecular Dynamics of Asiaticoside and Neoandrographolide as hDHFR Inhibitors for Breast Cancer Prevention R Sugumar, S Jeyabalan, D Mohan, C Ashok, A Selvaraj, A Kumaran, ... ChemistrySelect 10 (46), e02693 , 2025 2025
Comparative neurotoxicity of Bisphenol-A and aluminum chloride in adult zebrafish: Behavioral disruption and region-specific neuropathology under chronic exposure B Logeshwari, S Jeyabalan, G Veeraraghavan, K Kaliaperumal, C Ashok, ... Toxicology Reports 15, 102161 , 2025 2025 Citations: 2
Basil Seeds Unlock Memory: Hydroalcoholic Extract of Ocimum basilicum Reverses Haloperidol-Induced Cognitive Deficits in Mice A Palanivelu, V Balaji, D Mohan, C Ashok, S Jeyabalan, LS Wong, ... Pharmacological Research-Modern Chinese Medicine, 100719 , 2025 2025 Citations: 1
Anti-Parkinsonian effect of ethanolic extract of Anacyclus pyrethrum linn root in MPTP-induced neurodegeneration S Velayutham, SI Nataraj, T Govindhaswamy, M Gurupackiyam, ... Next Research, 101091 , 2025 2025
Indian medicinal plants as neuroprotective agents in Parkinson’s disease: bridging tradition and therapeutics C Ashok, S Jeyabalan, R Sugumar, SL Jabaris, NK Rajasekaran, L Bala, ... Phytomedicine Plus, 100905 , 2025 2025 Citations: 3
Exploring flavonoids as multi-target therapeutic agents in Alzheimer’s disease: Insights from Network Pharmacology, Molecular Docking, and Dynamics L Bala, S Jeyabalan, G Veeraraghavan, K Kaliaperumal, C Ashok, ... Journal of Applied Pharmaceutical Science 15 (11), 136-153 , 2025 2025 Citations: 2
Computational Discovery of the Neuroprotective Potential of Karanjin Against Parkinson's Disease R Gopinath, C Ashok, NK Rajasekaran, M Sekar, P Pavadai, WL Shing, ... ChemistrySelect 10 (38), e03043 , 2025 2025
Protective role of Karanjin against bisphenol A-Induced cognitive deficits and oxidative damage in a zebrafish model B Logeshwari, S Jeyabalan, G Veeraraghavan, K Krishnaraj, C Ashok, ... Scientific Reports 15 (1), 33073 , 2025 2025 Citations: 1
Pharmacogenomic Profiling of Frequently Prescribed Medications Among Geriatric Patients in a Tertiary Care Setting in Southwestern India UF Khaiser, R Sultana, R Das, J Farooq, H Shahin, MG Ahmed, C Ashok, ... F1000Research 14, 896 , 2025 2025
Comparative evaluation of MPTP and rotenone as inducing agents for Parkinson's disease in adult zebrafish: Behavioural and histopathological insights C Ashok, NK Rajasekaran, S Jeyabalan, G Veeraraghavan, S Lakshmi, ... Toxicology Reports, 102084 , 2025 2025 Citations: 4
Polyherbal Formulation as a Therapeutic Strategy for Lung Cancer: Phytochemical Profiling, Molecular Docking, and Pharmacological Evaluation RL Sundaram, T Anand, K Mani, KP Saravanan, AM Yasar, S Vivek, ... Asian Pacific Journal of Cancer Prevention 26 (5) , 2025 2025 Citations: 2
Exploring the Inhibitory Potential of Podolactone B against Human Acetylcholinesterase: A Docking Study A Bahrudeen, NK Rajasekaran, C Ashok, J Srikanth, S Dhanasekaran, ... Turkish Computational and Theoretical Chemistry 9 (4), 40-53 , 2025 2025
Synthesis, Characterization, in Silico and in vitro Screening of Anticancer Activity of Novel Curcumin Analogues CA P. Shanmugasundaram, D. Easwaramoorthy, J. Herbert Mabel, Srikanth Jeyabalan Asian Journal Of Chemistry 36 (11), 2666-2674 , 2024 2024 Citations: 1
MOST CITED SCHOLAR PUBLICATIONS
Comparative evaluation of MPTP and rotenone as inducing agents for Parkinson's disease in adult zebrafish: Behavioural and histopathological insights C Ashok, NK Rajasekaran, S Jeyabalan, G Veeraraghavan, S Lakshmi, ... Toxicology Reports, 102084 , 2025 2025 Citations: 4
Indian medicinal plants as neuroprotective agents in Parkinson’s disease: bridging tradition and therapeutics C Ashok, S Jeyabalan, R Sugumar, SL Jabaris, NK Rajasekaran, L Bala, ... Phytomedicine Plus, 100905 , 2025 2025 Citations: 3
Pharmacognostical and Phytochemical Screening of Leaves of Raphanus sativus Linn. T Suresh, S Vellaisamy, PRK V S, C Ashok Asian Journal of Pharmaceutical Research 14 (1), 25-2 , 2024 2024 Citations: 3
Comparative neurotoxicity of Bisphenol-A and aluminum chloride in adult zebrafish: Behavioral disruption and region-specific neuropathology under chronic exposure B Logeshwari, S Jeyabalan, G Veeraraghavan, K Kaliaperumal, C Ashok, ... Toxicology Reports 15, 102161 , 2025 2025 Citations: 2
Exploring flavonoids as multi-target therapeutic agents in Alzheimer’s disease: Insights from Network Pharmacology, Molecular Docking, and Dynamics L Bala, S Jeyabalan, G Veeraraghavan, K Kaliaperumal, C Ashok, ... Journal of Applied Pharmaceutical Science 15 (11), 136-153 , 2025 2025 Citations: 2
Polyherbal Formulation as a Therapeutic Strategy for Lung Cancer: Phytochemical Profiling, Molecular Docking, and Pharmacological Evaluation RL Sundaram, T Anand, K Mani, KP Saravanan, AM Yasar, S Vivek, ... Asian Pacific Journal of Cancer Prevention 26 (5) , 2025 2025 Citations: 2
An in-silico approach of assessments of human serotonin transporter inhibitory potential of various flavonoids for anti-depressants: molecular docking, MM-GBSA, molecular … S Nagarajan, S Jeyabalan, S Dhanasekaran, M Sekar, LS Wong, C Ashok 2023 Citations: 2
Pathophysiological impacts of lifestyle transitions on obesity: A molecular overview of metabolic dynamics V Subramaniyan, R Logesh, S Jeyabalan, V Chitra, M Gupta, YS Wu, ... Obesity Medicine, 100705 , 2026 2026 Citations: 1
In silico identification of potential inhibitors from fenugreek against the pro-inflammatory cytokine IL-17 and its receptor V Lavu, S Devi, DM Ravindran, S Nandhini, SDD Pandiyan, S Jeyabalan, ... Odontology 114 (1), 308-318 , 2026 2026 Citations: 1
Basil Seeds Unlock Memory: Hydroalcoholic Extract of Ocimum basilicum Reverses Haloperidol-Induced Cognitive Deficits in Mice A Palanivelu, V Balaji, D Mohan, C Ashok, S Jeyabalan, LS Wong, ... Pharmacological Research-Modern Chinese Medicine, 100719 , 2025 2025 Citations: 1
Protective role of Karanjin against bisphenol A-Induced cognitive deficits and oxidative damage in a zebrafish model B Logeshwari, S Jeyabalan, G Veeraraghavan, K Krishnaraj, C Ashok, ... Scientific Reports 15 (1), 33073 , 2025 2025 Citations: 1
Synthesis, Characterization, in Silico and in vitro Screening of Anticancer Activity of Novel Curcumin Analogues CA P. Shanmugasundaram, D. Easwaramoorthy, J. Herbert Mabel, Srikanth Jeyabalan Asian Journal Of Chemistry 36 (11), 2666-2674 , 2024 2024 Citations: 1
Neuroprotective Effect of Ethanolic Extract of Pedalium murex Linn Leaf in 3-Nitropropionic acid Induced Neurodegeneration. S Velayutham, A Sundararaju, T Govindhaswamy, M Gurupackiyam, ... Journal of Research in Pharmacy 27 (3), 1143-1156 , 2023 2023 Citations: 1
Molecular Docking Study of Phytoconstituents Identified in Zingiber Officinale and Ocimum Basilicum on Butyrylcholinesterase – An Enzyme Target for Alzheimer’s Disease AP Sathiyananthan, V Ashokan, S Sekar, H Hareendran, C Ashok, V AR, ... European Chemical Bulletin 12 (Speacial Issue 8), 4358-4363 , 2023 2023 Citations: 1
Molecular Docking and ADMET Analysis of Bioactive Compounds of Trigonella Foenum-Graecum on Glycogen Synthase Kinase-3 A Dhiravidamani, M Jenifa, C Ashok, MY Abdul, S Mani, V AR, S Sundar European Chemical Bulletin 12 (Speacial Issue 8), 4369-4379 , 2023 2023 Citations: 1
Medicinal plants for obsessive-compulsive disorder: A review of phytotherapeutic approaches S Jeyabalan, V Subramaniyan, A Balu, LS Wong, M Sekar, C Ashok Journal of Psychiatric Research , 2026 2026
A Novel Sustained-Release In-Situ Implant of Fluvoxamine Ameliorates Depressive-Like Behaviours in a CUMS Mouse Model CA Sruthi. S, Gopinath. S, Meriton Stanley A, Satheesh Kumar S, Gayathri ... Current Trends in Biotechnology and Pharmacy 20 (2), 2882-2891 , 2026 2026
Unravelling the multi-target mechanism of methoxylated flavonoids in Parkinson's disease: Insights from network pharmacology and molecular dynamics C Ashok, S Jeyabalan, P Pavadai, D Mohan, R Sugumar, R Sugumar, ... Toxicology Reports, 102248 , 2026 2026
Analytical method development for simultaneous estimation of kojic acid, ascorbic acid and niacinamide in cosmetics and its validation V Venkatesan, G Sukumaran, RL Sundaram, C Ashok, SDD Pandiyan, ... BMC chemistry , 2026 2026
Exploring the Therapeutic Potential: Molecular Docking and Dynamics Studies of Lethal Factor Protease Inhibitors Targeting Bacillus Anthracis RA Kamatham Sravani, Chetan Ashok, Yallamati Mahesh Babu Turkish Computational and Theoretical Chemistry 9 (5), 197-206 , 2025 2025