A5029063228- Computational Drug Discovery Methods
- Natural Antidiabetic Agents Studies
- Neuroinflammation and Neurodegeneration Mechanisms
- Free Radicals and Antioxidants
- Cholinesterase and Neurodegenerative Diseases
- Diverse Scientific Research Studies
- Ethnobotanical and Medicinal Plants Studies
- Drug-Induced Hepatotoxicity and Protection
- Plant-based Medicinal Research
- Nanoparticle-Based Drug Delivery
- Phytochemistry and biological activity of medicinal plants
- Antioxidant Activity and Oxidative Stress
- Advances in Cucurbitaceae Research
- Phytochemicals and Medicinal Plants
- Silymarin and Mushroom Poisoning
- Curcumin's Biomedical Applications
- Phytochemicals and Antioxidant Activities
- Transgenic Plants and Applications
- Phytochemistry and Bioactivity Studies
- Phenothiazines and Benzothiazines Synthesis and Activities
- Chromatography in Natural Products
- Alzheimer's disease research and treatments
- Electrochemical sensors and biosensors
- Synthesis and Biological Evaluation
- Neurological Disease Mechanisms and Treatments
Jawaharlal Nehru Technological University Anantapur
2022-2025
Saveetha University
2023-2024
Hindu College of Pharmacy
2018-2023
Sri Manakula Vinayagar Medical College and Hospital
2023
Hiram College
2023
Government Ayurvedic College and Hospital
2021
Kurnool Medical College
2021
Rayalaseema University
2012
Severe acute respiratory syndrome coronavirus disease (SARS-CoV-2) induced 2019 (COVID-19) pandemic is the present worldwide health emergency. The global scientific community faces a significant challenge in developing targeted therapies to combat SARS-CoV-2 infection. Computational approaches have been critical for identifying potential inhibitors face of limited resources and this time crisis. Main protease (Mpro) an intriguing drug target because it processes polyproteins required...
To valorise the bioactive constituents abundant in leaves and other parts of medicinal plants with objective to minimize plant-based wastes, this study was undertaken. The main constituent Andrographis paniculata, an Asian plant, is andrographolide (AG, a diterpenoid), which has shown promising results treatment neurodegenerative illnesses. Continuous electrical activity brain hallmark abnormal neurological conditions such as epilepsy (EY). This can lead sequelae. In study, we used GSE28674...
This study involved cerebroprotective potential of aloe emodin (AE) by in silico molecular docking analysis against various cerebrotoxic proteins followed vivo activity on multiple occlusions and reperfusion bilateral carotid arteries (MO/RCA) induced cerebral injury experimental rats. Molecular studies were carried out to evaluate the binding affinity (or interaction) between AE apoptosis such as caspase-3 (CASP3) Bcl-2-associated X protein (BAX), inflammation interleukin-6 (IL-6), tumor...
Abstract The present study was aimed to develop silybin phytosome (SIBP) and evaluate its effectiveness against cerebral ischemia‐reperfusion (CIR) injury in rats. Initially, SIBP prepared characterized with Fourier transform‐infrared spectroscopy, differential scanning calorimetry, electron microscopy. Drug loading entrapment efficiency of were also calculated. High‐performance liquid chromatography used carry out bioavailability studies SIBP. Adult Wistar rats divided randomly into five...
Abstract The abundant health benefits of silybin are known to benefit people with myocardial infarction (MI). However, their mechanisms action not precise. To address this problem, network pharmacology was used identify the various components that can be utilized treat condition, and an in vivo study conducted evaluate cardioprotective effect MI rats. Genes associated targets were extracted, overlapping genes between silybin‐associated identified using Venn diagrams. Using Cytoscape, we...
Parkinson's disease (PD) is characterised by the gradual demise of dopaminergic neurons. In recent years, there has been significant interest in herbal treatments. this study, hesperetin nanoparticles (HTN) were developed and compared their anti-PD potential with (HT) on rotenone induced PD rats. Molecular docking was also performed to evaluate binding affinity pathological protein, i.e. D2 dopamine receptors (DR2), using Auto Dock Vina tools. The results showed a higher relationship HTN...
Objective: To examine the effect of methanolic extract Salada fruticosa in a zebrafish model scopolamine-induced Alzheimer’s disease. Methods: High-resolution liquid chromatography-mass spectrometry was used to characterize phytochemical constituents extract. The drug-likeness these compounds determined via DruLiTo tool, and their acetylcholinesterase (AChE) binding affinities were studied by molecular docking. In vivo studies, adult treated with 3.125, 6.25, 12.5 mg/L for seven days then...
Alzheimer’s disease (AD) is a progressive neurodegenerative disorder requiring multifaceted approach to treatment and prevention. Pharmacological treatments provide symptomatic relief, with cholinesterase inhibitors (donepezil, rivastigmine, galantamine) enhancing cholinergic function memantine regulating glutamate activity. Anti-amyloid monoclonal antibodies (aducanumab, lecanemab, donanemab) target amyloid plaques, potentially slowing cognitive decline but pose risks like amyloid-related...
To study the immunomodulatory potential of Albizia procera (AP) bark using in vivo models and by silico approach. In involved to binding affinity AP bioactive molecules on immune modified proteins such as Human NF-kappa B p52 (NFkB P52), human tumor necrosis factor-alpha (TNF-α). studies evaluated activity ethanolic extract (EEAP) Doxorubicin (DOX) induced immunosuppressive rats. Docking results showed 3-O-[α-L-arabinopyranosyl-(1 2)-β- → D fucopyranosyl - (16) 2 acetamido deoxy- β...
One of the primary therapeutic approaches for managing Alzheimer's disease (AD) involves modulation Acetylcholine esterase (AChE) activity to elevate acetylcholine (ACh) levels inside brain. The current study employed computational chemistry evaluate inhibitory effects CTN on AChE. docking results showed that Citronellal (CTN) and standard Donepezil (DON) have a binding affinity -6.5 -9.2 Kcal/mol, respectively, towards Further studies using molecular dynamics (MD) simulations were carried...
Lotus seeds, also known as Nelumbinis semen, has been utilized for over 7,000 years vegetable, functional food and medicine. In this study, we primarily investigated the anticancer effects of lotus seed extracts, particularly methanolic extract (MELS) on cell proliferation inhibition, apoptosis induction cycle arrest in ovarian cancer lines. Further, studied phytochemical composition MELS by gas chromatography-mass spectrometry (GC-MS) analysis. Additionally, molecular docking was performed...
This study focused on molecular docking, dynamic simulation, and in vivo approaches to examine the interactions between citronellal (CT) neurotoxic proteins. In silico studies of CT were performed using proteins involved pathophysiology stroke, such as interleukin-6 (IL-6), interleukin-12 (IL-12), TNF-α, nitric oxide synthase (NOS), determine binding affinity based their interactions. The docking results revealed that, among targets, NOS had a better energy −6.4 Kcal/mol. showed good...
Alzheimer’s disease (AD) is an age-related neuropsychiatric disorder and a common cause of progressive dementia. Diltiazem (DTZ), the non-dihydropyridine benzothiazepine class calcium channel blocker (CCB), used clinically in angina other cardiovascular disorders, has proven neurological benefits. In present study, neuroprotective anti-dementia effects DTZ against intra-cerebroventricular-streptozotocin (ICV-STZ)-induced sporadic AD (SAD)-type rat model was investigated. ICV-STZ-induced...
Neolamarckia cadamba (Roxb.) Bosser, a member of the Rubiaceae family, is botanical species with recognized therapeutic properties. It commonly used in traditional medicine to treat cardiac ailments and other disorders. However, precise active constituents potential mechanisms by which they manage cardiovascular disorders remain unclear. Therefore, this study aimed ascertain bioactive components investigate their underlying action. N. using integrated metabolomic methodology. An...
Many high-altitude plants, such as Hedyotis aspera, need to be explored for their possible medicinal value. The current study the protective effect of aspera methanolic extract whole plant (HAME) against gentamicin-induced nephrotoxicity in rats. It profiled phytocontents using HPLC-QTOF-MS/MS analytic methods. LC-MS analysis HAME revealed 27 compounds. Eight compounds followed Lipinski’s rule five and were found potential TNF-α inhibitors with binding affinities −6.9, −6.3, −6.3 Kcal/mol,...
Current study was designed multiple occlusions and reperfusion of bilateral carotid arteries induced cerebral injury model evaluated the protective effect gallic acid on it. In silico involved to binding affinity cerebrotonic proteins compared with standard drugs using Autodoc vina tool. Cerebral ischemia by occlusion common for 10 mins followed reperfusions (1 cycle), cycle continued 3 cycles (MO/RCA), then pathological changes were observed estimation brain antioxidants as superoxide...
The prevalence of Parkinson's disease places a significant burden on society; therefore, there is an urgent need to develop more effective drugs. However, the development these drugs both expensive and risky. Quercetin (QUE) has potent pharmacological effects neurodegenerative diseases, but its low solubility in water poor bioavailability limit use pharmaceutical applications. In this study, nanocrystals (QNC) were synthesized compared standard QUE. A network-pharmacology-based methodology...
Abstract Flavonoids are a diverse group of naturally occurring plant compounds that primarily composed phenols in their free form or glycosides. Flavonoid medicines 2‐phenyl‐g‐benzopyrone. This family consists monomeric flavanols, flavanones, anthocyanidins, flavones, isoflavonoids, and flavonols. The study's main objective is to review the newly discovered natural flavones as well biological pharmacological actions these essential flavonoids. As per available data, 3‐hydroxy flavone plays...
This study aimed to enhance the efficacy of quercetin (QT) by formulating it into a liposomal drug delivery system utilizing central composite design. The drug:lipid ratio, cholesterol concentration, and sonication time were selected as independent variables. vesicle % entrapment efficiency dependent Nanoliposomes (QT-NLs) prepared via combination ethanol injection thin film hydration. size all formulations within ranges 100 nm >80%, respectively. zeta potential value indicated stability...
The present study examined the potential neuroprotective effects of aloe-emodin (AE) nanoparticles on cerebral stroke-associated target protein myeloperoxidase (MPO). We investigated binding interactions between AE and MPO through molecular docking dynamics simulations. Molecular results indicated that exhibited a energy -6.9 kcal/mol, whereas it was -7.7 kcal/mol for 2-{[3,5-bis(trifluoromethyl)benzyl]amino}-