Identification and screening of potential inhibitors obtained from
            <i>Plumeria rubra</i>
            L. compounds against type 2 diabetes mellitus

Hazra, Subhajit; Aziz, Abdul; Sharma, Sameer

doi:10.1080/07391102.2022.2153924

Cited by 5 publications

(3 citation statements)

References 47 publications

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“…All-atom MD simulations are a powerful theoretical approach for elucidating the dynamic characteristics of protein structures and their interactions with ligands. , This methodology is pivotal in computer-assisted drug design and discovery. , MD simulations for two systems, apo-HSA and HSA-LOB, were carried out for 100 ns.…”

Section: In Silico Studiesmentioning

confidence: 99%

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Multispectroscopic and Theoretical Investigation on the Binding Interaction of a Neurodegenerative Drug, Lobeline with Human Serum Albumin: Perturbation in Protein Conformation and Hydrophobic–Hydrophilic Surface

Rupreo,

Tissopi,

Baruah

et al. 2024

Mol. Pharmaceutics

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Lobeline (LOB), a naturally occurring alkaloid, has a broad spectrum of pharmacological activities and therapeutic potential, including applications in central nervous system disorders, drug misuse, multidrug resistance, smoking cessation, depression, and epilepsy. LOB represents a promising compound for developing treatments in various medical fields. However, despite extensive pharmacological profiling, the biophysical interaction between the LOB and proteins remains largely unexplored. In the current article, a range of complementary photophysical and cheminformatics methodologies were applied to study the interaction mechanism between LOB and the carrier protein HSA. Steady-state fluorescence and fluorescence lifetime experiments confirmed the static-quenching mechanisms in the HSA-LOB system. "K" (binding constant) of the HSA-LOB system was determined to be 10 5 M −1 , with a single preferable binding site in HSA. The forces governing the HSA-LOB stable complex were analyzed by thermodynamic parameters and electrostatic contribution. The research also investigated how various metal ions affect complex binding. Site-specific binding studies depict Site I as probable binding in HSA by LOB. We conducted synchronous fluorescence, 3D fluorescence, and circular dichroism studies to explore the structural alteration occurring in the microenvironment of amino acids. To understand the robustness of the HSA-LOB complex, we used theoretical approaches, including molecular docking and MD simulations, and analyzed the principal component analysis and free energy landscape. These comprehensive studies of the structural features of biomolecules in ligand binding are of paramount importance for designing targeted drugs and delivery systems.

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Section: In Silico Studiesmentioning

confidence: 99%

“…17,41 This methodology is pivotal in computer-assisted drug design and discovery. 68,69 MD simulations for two systems, apo-HSA and HSA-LOB, were carried out for 100 ns.…”

Section: Effects Of Metal Ions On the Hsa-lob Systemmentioning

confidence: 99%

Multispectroscopic and Theoretical Investigation on the Binding Interaction of a Neurodegenerative Drug, Lobeline with Human Serum Albumin: Perturbation in Protein Conformation and Hydrophobic–Hydrophilic Surface

Rupreo,

Tissopi,

Baruah

et al. 2024

Mol. Pharmaceutics

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show abstract

“…Inflammation is also known to result in oxidative damage [196]. Species like plumeria and others have been apprised due to their anti-inflammatory and wound-healing (where ROS have an important role to play) properties, respectively [197][198][199]. AuNPs conjugates synthesized from the leaf extract of Euphrasia officinalis showed various shapes, including spherical, hexagonal (with lattice fringes), and triangular.…”

Section: Application Of Gold-based Nps (Aunps) and Their Antioxidant ...mentioning

confidence: 99%

Role of Nanoparticle-Conjugates and Nanotheranostics in Abrogating Oxidative Stress and Ameliorating Neuroinflammation

Patel,

Kevadiya,

Bajwa

et al. 2023

Antioxidants

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Oxidative stress is a deteriorating condition that arises due to an imbalance between the reactive oxygen species and the antioxidant system or defense of the body. The key reasons for the development of such conditions are malfunctioning of various cell organelles, such as mitochondria, endoplasmic reticulum, and Golgi complex, as well as physical and mental disturbances. The nervous system has a relatively high utilization of oxygen, thus making it particularly vulnerable to oxidative stress, which eventually leads to neuronal atrophy and death. This advances the development of neuroinflammation and neurodegeneration-associated disorders such as Alzheimer’s disease, Parkinson’s disease, epilepsy, dementia, and other memory disorders. It is imperative to treat such conditions as early as possible before they worsen and progress to irreversible damage. Oxidative damage can be negated by two mechanisms: improving the cellular defense system or providing exogenous antioxidants. Natural antioxidants can normally handle such oxidative stress, but they have limited efficacy. The valuable features of nanoparticles and/or nanomaterials, in combination with antioxidant features, offer innovative nanotheranostic tools as potential therapeutic modalities. Hence, this review aims to represent novel therapeutic approaches like utilizing nanoparticles with antioxidant properties and nanotheranostics as delivery systems for potential therapeutic applications in various neuroinflammation- and neurodegeneration-associated disease conditions.

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Optimization of microwave-assisted extraction (MAE) of key phenolic compounds from pigeon pea (Cajanus cajan L.), their characterization, and measurement of their anti-diabetic and cytotoxic potential

Prabhakar,

Mukherjee,

Kumar

et al. 2023

Food Measure

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Identification and screening of potential inhibitors obtained from Plumeria rubra L. compounds against type 2 diabetes mellitus

Cited by 5 publications

References 47 publications

Multispectroscopic and Theoretical Investigation on the Binding Interaction of a Neurodegenerative Drug, Lobeline with Human Serum Albumin: Perturbation in Protein Conformation and Hydrophobic–Hydrophilic Surface

Multispectroscopic and Theoretical Investigation on the Binding Interaction of a Neurodegenerative Drug, Lobeline with Human Serum Albumin: Perturbation in Protein Conformation and Hydrophobic–Hydrophilic Surface

Role of Nanoparticle-Conjugates and Nanotheranostics in Abrogating Oxidative Stress and Ameliorating Neuroinflammation

Optimization of microwave-assisted extraction (MAE) of key phenolic compounds from pigeon pea (Cajanus cajan L.), their characterization, and measurement of their anti-diabetic and cytotoxic potential

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