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PublicationComparison on extracted metabolites from different regions grown Murraya koenigii and validation by antibacterial, antioxidant, and molecular docking studies(Springer, 2023)Murraya koenigii (curry leaves) is a herbal plant native to India and is primarily used as a flavouring agent in Indian cuisine as well as in many other South Asian cuisine. This study is focused on extracting the metabolites from the M. koenigii leaves collected from two different locations in Tamil Nadu, India, (Sample A is Tiruvallur and Sample B is Coimbatore) and assessing its antioxidant, antibacterial properties and the compounds were docked against various targets to evaluate its biological activity. The leaves were collected from two different areas in Tamil Nadu and the secondary metabolites were extracted by using three different polarity-based solvents; hexane, chloroform, and methanol were analyzed by GC–MS. The common compounds found in three different solvents for the Tiruvallur sample were caryophyllene, humulene, and β-eudesmene and those from Coimbatore were caryophyllene and humulene. Gram-negative bacteria like Chromobacterium violaceum and Pseudomonas aeruginosa were used to test the antibacterial activity of extracts from M. koenigii leaves. Hexane extracts of both samples showed higher resistance against the selected bacteria. The antioxidant activities were evaluated using FRAP, DPPH, NOS, and ABTS assay. It was observed that Sample A exhibited more free radical scavenging activity than Sample B. Molecular docking of selected compounds from the literature was carried out against various targets like human Superoxide Dismutase I (hSOD1) [PDB ID: 5YTO], S. aureus DNA gyrase [PDB ID: 4PLB], Human glucose transporter 4—GLUT4 [PDB ID: 7WSN], protein kinase b [PDB ID: 2FUM], Cyclin-dependent kinase 2 [PDB ID: 6GUE], Human HER2 (ERBB2) [PDB ID: 3PP0], and Anaplastic lymphoma kinase (ALK) [PDB ID: 5FTO]. Docking studies have also been carried out for the common compounds found in three solvents of the two samples. Thus, this study represents the presence of bioactive compounds with the number of biological activities in the M. koenigii leaves.
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PublicationIntrinsic tenase blood biomarker imprinted polymer-aptasensor with carbon nanohorn and gold nano-urchin construct for primitive-phase diagnosis of Haemophilia B(Elsevier, 2024)The selective biomimetic aptasensor for blood coagulation factor IX protein (FIX) detection was developed using an interdigitated electrode with an Archimedean spiral pattern. In contrast to conventional molecularly imprinted polymer (MIP) techniques, aptamer was employed as a macromonomer to accelerate double binding affinity. To preserve the aptamer profile in its protein-binding orientation, FIX protein and thiol-modified RNA aptamers were complexed prior to MIP fabrication. The immobilized aptamer-FIX complex was surrounded by a polymer generated by the electropolymerization of 3-thiophene acetic acid (3TAA). Subsequent to FIX protein removal, leaves imprinted cavities facilitate selective FIX protein detection in conjunction with the affinity of embedded aptamer affinity. The Archimedean IDE surface was functionalized with carbon nanohorn (CNH) and gold nanourchin (GNU) to increase the imprinting ratios and sensor sensitivity. The developed FIX-aptasensor shows a detection limit of 0.06 fM, which is 660-fold higher than aptamer-embedded MIP nanoparticles. Moreover, the sensor exhibited greater selectivity for FIX, discriminating IgG and thrombin. As a preliminary study for clinical use, the sensor was used to analyze human serum without target spiking and detected FIX-protein with a relative standard deviation of 9.18%. It was ascertained that the sensor maintained 85% sustained performance for a duration of five weeks.
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PublicationIntegration of bacteria-imprinted polymer with aluminium transducers: polymeric electrical behaviour to ionic species(Elsevier, 2025-06)Background: Confronted with escalating public health issues exacerbated by bacterial infections, introducing a cost-effective and reliable approach for rapid bacteria detection is imperative. Methods: In this research, bacteria-imprinted polymers (BIPs) technology targeting Bacillus subtilis was developed and characterised with Raman Spectroscopy and Fourier Transform Infrared Spectroscopy (FTIR). The BIPs were then incorporated into our newly designed capsula capacitive proximity electrode (CapCPE) sensor. Successful deposition of BIPs was validated by scanning electron microscopy (SEM), while the average thickness of the BIP coating was recorded as ∼ 3.0 µm. The current responses of both the bare device and BIP-CapCPE to different pH levels were examined. Significant Findings: The results revealed that the bare device generated a maximum current of 7.55×10−4 A in a highly acidic medium. In contrast, the BIP-coated device exhibited a maximum current of 1.0 × 10−4 A in a highly alkaline medium, attributed to increased charge carrier density from the carboxyl group deprotonation in recognition cavities. Moreover, the mechanistic insights into the impact of strong electrolytes on BIP-coated electronic sensors were further proposed and elucidated. Electrochemical impedance spectroscopy (EIS) was additionally employed to reveal the impedimetric and capacitive behaviours of the devices in varied pH media.
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PublicationAugmented sensitivity in electrolyte determination for sweat analysis: Rapid amperometric quantification by self-induced gold nanorods aggregation(Elsevier, 2025-03)Background: In this research, different strategies for leveraging gold nanorods (GNRs) were proposed to augment the sensitivity of a fabricated aluminum interdigitated electrodes (IDE) biosensor for detecting sodium chloride (NaCl) at millimolar concentrations. Methods: The sensitivity of the electronic biosensor in detecting NaCl was evaluated by examining the linear relationships between current changes and salt concentrations established at specific voltages. Significant Findings: The results presented that current signals were enhanced when incorporating the catalysts into the detection. At 2.0 V, the biosensor whose surface was functionalized with immobilized GNRs generated prominent electrical responses, with a sensitivity value of 0.0596 mA mM−1 cm−2. However, the performance of NaCl quantification recorded a further enhancement of 87.92 % when the mixture consisting of aggregated GNRs induced by the NaCl sample was pipetted onto the bare biosensor. The mechanisms for both application strategies of GNRs were introduced and discussed. This study provides insight into the detection of low concentrations of NaCl and potentially contributes to the ‘sweat test’ for screening health complications, such as cystic fibrosis (CF)
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PublicationBinding dynamics and conformational stability of graphene-based nanomaterials with Mutant LOX-1: Insights from molecular docking and dynamics simulations in atherosclerosis(Springer, 2024-12)Oxidized low-density lipoprotein (oxLDL) is a critical factor in endothelial dysfunction and serves as an important biomarker for oxidative stress. Recent research has focused on lectin-like oxidized low-density lipoprotein receptor-1 (LOX-1), a receptor for oxLDL that plays a significant role in atherosclerosis progression. Mutant LOX-1 may show changes in its binding affinity for oxLDL, potentially leading to variations in oxLDL uptake and foam cell formation. Our previous investigation into graphene-based nanomaterials and their interactions with atherosclerosis-related proteins, including LOX-1, provided important insights into their binding characteristics. In this study, we delve deeper into the binding dynamics between graphene-based nanomaterials and mutant LOX-1, aiming to clarify their implications for atherosclerotic development. Using molecular docking techniques with AutodockVina and active site predictions from P2Rank, we evaluated the binding affinities of graphene, graphene oxide (GO), and reduced graphene oxide (rGO) to mutant LOX-1. Notably, all docking scores were below -5 kcal/mol, indicating strong interactions with the receptor. To investigate the dynamics of these interactions further, we performed molecular dynamics (MD) simulations using the CHARMM force field. Our simulations revealed significant conformational changes within the first 100 ns, particularly in the mutant LOX-1 and GO complex, which suggested improved binding stability. These results enhance our understanding of how graphene-based nanomaterials interact with mutant forms of LOX-1, offering potential avenues for targeted therapies in atherosclerosis management related to LOX-1 dysregulation.