In silico evaluation and therapeutic targeting of LVDD9B protein for WSSV inhibition: molecular and ecological insights for aquaculture solutions.

Unlabelled: This study aimed to investigate structural dynamics, binding interactions, stability, pharmacokinetics, ecological risks, and bioactivity of shrimp receptor protein LVDD9B to identify potential therapeutic candidates against White Spot Syndrome Virus (WSSV). LVDD9B protein's 3D structure was predicted using SWISS-MODEL and validated with ProSA and Ramachandran plots. Protein-protein docking between LVDD9B and VP26 (WSSV protein) was performed using HADDOCK 2.

Memory-Enhancing Effects of Dauricine in Swiss Mice: Possible Molecular Interventions Through In Vivo and In Silico Studies.

The bisbenzylisoquinoline alkaloid dauricine (DAU) is known for its neuroprotective effects in animals. This study investigates the memory-enhancing effects of DAU in Swiss albino mice using both in vivo and in silico approaches, focusing on its interaction with the D2 dopamine (DOP) receptor. Behavioral tests, including marble burying, dust removal, and trained swimming, were used to assess cognitive performance, anxiety, and motor coordination.

Uncovering dendritic cell specific biomarkers for diagnosis and prognosis of cardiomyopathy using single cell RNA sequencing and comprehensive bioinformatics analysis.

Cardiomyopathy is a type of cardiovascular disorder that is a primary cause of death globally, killing millions of people each year. Cardiomyopathy detection and early diagnosis are crucial in reducing negative health effects. Thus, this study aims to use single cell RNA sequencing, and bioinformatics analysis to uncover dendritic cell-specific biomarkers, gene ontology, pathways, regulatory interaction networks, and protein-chemical compounds related to the molecular mechanism of cardiomyopathy progression.

Design, synthesis, biological evaluation and in silico studies of 2-anilino- 4-(benzimidazol- 1-yl)pyrimidine scaffold as antitumor agents.

In an attempt to rationalize the search for new potential Chemotherapeutic agents, a new series of 2-anilinobenzimidazol derivatives with CDK activity have been synthesized. The newly synthesized compounds have been assessed for their cytotoxic effects and CDK activity. These presented compounds showed strong inhibition of cell proliferation in various solid cancer cell lines, suggesting a promising approach for treating malignant tumors.

Identification of cell specific biomarkers for intellectual disability via single cell RNA sequencing and transcriptomic bioinformatics approaches.

Limitations in cognitive functioning and adaptive behavior are hallmarks of Intellectual Disability (ID), a neurodevelopmental disease. Specific genetic disorders that result in ID can also have immune system anomalies, such as changes in T (CD4 and CD8) cell activity. This work aimed to compare single-cell RNA-sequencing (scRNA-seq) and transcriptome data to find biomarkers linked to T cells that could potentially be utilized for the diagnosis and assessment of ID.

Synthesis, and studies of a novel chrysin-ferrocene Schiff base with potent anticancer activity G1 arrest, caspase-dependent apoptosis and inhibition of topoisomerase II.

A novel chrysin-ferrocene Schiff base (CFSB) was synthesised as a potential anticancer agent. CFSB demonstrated high cytotoxicity against cancer cells with HepG2 (liver) being the most susceptible (IC = 3.11 µM).

Memory-Enhancing Effects of Daidzin, Possibly Through Dopaminergic and AChEergic Dependent Pathways.

Background: The soy isoflavone daidzin (DZN) possesses cognitive-enhancing effects in animals.

Objectives: However, the mechanism for this effect is yet to be discovered.

Methods: For this, we investigate its memory-enhancing capacity using the mouse models of marble burying, dust removal, an open-field study, and in silico studies.

Assessment of Sedative Activity of Lonicerin: In Vivo Approach With Pharmacokinetics and Molecular Docking.

Background: Lonicerin (LON) has been identified to have different biological properties, such as anticancer, anti-inflammatory, immunomodulatory, antibacterial, antimicrobial, and neuroprotective. This study aims to assess the sedative effect of LON in Swiss albino mice, which is yet to be discovered.

Materials And Methods: Mice were treated with two different doses of LON (5 and 10 mg/kg) and 2 mg/kg of diazepam (DZP), which is the referral GABAergic medication, and the latency time and sleeping duration of animals were observed.

Uncovering the Efficacy of Cinnamomum tamala Leaf Extract Against Paracetamol-Induced Hepatotoxicity in Swiss Albino Mice.

Cinnamomum tamala belongs to the Lauraceae family, which has diverse traditional and pharmacological roles for treating toothache, diarrhea, gastrointestinal disorders, vomiting, fever, diabetes, hyperlipidemia, and others. This research aims to evaluate its protective effects against paracetamol-induced hepatotoxicity in mice. For this, ethanolic leaf extract of C.

Daidzin Enhances the Anticonvulsion Effects of Carbamazepine and Diazepam, Possibly Through Voltage-Gated Sodium Channels and GABA-Dependent Pathways.

Epilepsy is a neurological disorder characterized by recurrent seizures, affecting approximately 50 million people globally. Daidzin (DZN), a naturally occurring isoflavone, has shown various pharmacological effects, including neuroprotective activities in animals. This study investigated the anticonvulsant effects of DZN with possible mechanisms of action using behavioral studies using experimental animals and in silico approaches.

Protective effects of ascorbic acid against anticancer drug-induced oxidative stress and genotoxic damage in .

The widely used dietary antioxidant ascorbic acid (AA) is evident to possess protective effects against many chronic diseases. This study aimed to evaluate the effects of AA on oxidative stress and genotoxic damage caused by 5-fluorouracil (5-FU), docetaxel (DOCE), and tamoxifen (TAMOX) in two proficient and four isogenic strains. For this, we performed disc diffusion and comet alkaline assay using suitable standard drugs.

Citronellal Exerts Sedative-Like Effects and Augments Diazepam's Action in Swiss Mice, Possibly Through the GABAergic Pathway.

Introduction: Citronellal (CTL), a monoterpenoid, exhibits notable neurological activity, including anxiolytic, and anticonvulsant effects, primarily through GABAergic pathways. Our current study aimed to explore CTL's sedative potential using in vitro, in vivo, and in silico approaches through the GABAergic pathway.

Methods: The in vitro GABAergic activity of CTL was assessed via colorimetric assay, while acute toxicity was evaluated in Swiss mice per OECD guidelines with doses up to 2000 mg/kg to establish safety margins.

Possible GABAkine-Mediated Sedative-Like Antidepressant Effects of Phytol: Molecular Interventions Through In Vitro, In Vivo and In Silico Approaches.

Background: A previous report suggests that phytol (PHY) may exert its antidepressant effects in mice, possibly through GABA receptor interaction pathways.

Aim: We aimed to check its antidepressant effect with possible molecular mechanisms through behavioral and in silico studies.

Methods: For this, adult mice were randomly divided into different groups (n = 6), namely control (vehicle), standards (DZP: diazepam at 2 mg/kg, FLU: flumazenil at 0.

Caffeine and sclareol take the edge off the sedative effects of linalool, possibly through the GABAA interaction pathway: molecular insights through in vivo and in silico studies.

Linalool (LIN) has some important neuropharmacological activities, including anxiolytic and sedative effects. It is also clear that it protects experimental animals from convulsions and Alzheimer's disease. On the other hand, caffeine (CAF) and sclareol (SCL) have neurostimulatory potential.

Anti-arthritic potential of linalool: in vitro, in vivo, and in silico mechanistic insights for safer therapeutic applications.

Linalool (LIN), a monoterpene alcohol from lavender and coriander essential oils, is known for its anti-inflammatory and analgesic properties. However, its potential in arthritis management, combining in vitro, in vivo, and in silico studies; pharmacokinetics; and toxicity management, remains unexplored. This study investigated LIN's anti-arthritis activity through various approaches: in vitro (egg albumin test), in vivo (terpene oil, formaldehyde-induced, and Freund's complete adjuvant (FCA)-induced models), and in silico analyses.

Tangeretin enhances sedative activity of diazepam in Swiss mice through GABA receptor interaction: In vivo and in silico approaches.

The citrus peel flavonoid tangeretin (TAN) has diverse biological activities, including antioxidant, anti-inflammatory, antitumor, hepatoprotective, and neuroprotective effects. This study investigates the sedative effects of TAN, in Swiss albino mice using in vivo and in silico approaches. TAN (10 and 20 mg/kg, i.

trans-Ferulic Acid Antagonizes the Anti-Inflammatory Activity of Etoricoxib: Possible Interaction of COX-1 and NOS.

This study emphasizes to investigate the modulatory activity of trans-ferulic acid (TFA) on anti-inflammatory activity of etoricoxib (ETO) and underlying mechanisms via formalin-induced licking and paw edema model and in silico study. Inflammation was induced by injecting formalin (50 µL) into the right hind paw of mice. The animals were treated with different doses of TFA (25, 50, and 75 mg/kg, p.

Broad-Spectrum Therapeutic Potentials of the Multifaceted Triterpene Lupeol and Its Derivatives.

Lupeol (LUP), a naturally occurring pentacyclic triterpene, is found in various fruits, vegetables, and medicinal plants and is evident to possess diverse pharmacological activities. This study aimed to consolidate its findings based on updated database reports. Findings suggest that LUP and some of its derivatives have promising biological roles, including anticancer effects.

Exploring the Antiemetic Potential of Caffeic Acid: A Combined In Vivo and Computational Approach.

Background: This study emphasizes evaluating the antiemetic efficacy of the natural food component caffeic acid (CAF) using a copper sulfate pentahydrate (CuSO.5HO)-induced emetic model on chicks, and an in silico approach was also adopted to estimate the possible underlying mechanisms.

Methods: Two doses (25 and 50 mg/kg b.

Anxiolytic Activity of Morellic Acid: Modulation of Diazepam's Anxiolytic Effects, Possibly Through GABAergic Interventions.

Background: Numerous studies suggest that morellic acid (MOR), highly available in Garcinia plants, has different physiological activities, including anti-cancer, anti-oxidant, and anti-microbial activity.

Aim: In this investigation, we aimed to demonstrate the anxiolytic activity, along with the mechanism behind this activity of MOR, using in vivo and in silico studies.

Methods: For this, we used different doses of MOR (5 and 10 mg/kg) and administered this drug intraperitoneally to Swiss albino mice (male and female).

Assessment of Antidiarrheal Effect of Oleuropein Through µ-Oopioid Receptor Interaction Pathway: In Vivo and in Silico Studies.

Oleuropein (OLP), a compound predominantly found in olive leaves, has been known for its numerous biological activities, including antioxidant, anti-inflammatory, and antimicrobial properties. Despite its established therapeutic potential, its role in treating diarrhea has not been extensively explored. This study aimed to evaluate the antidiarrheal effects of OLP in an in vivo model and to investigate its molecular interactions using in silico docking studies, pharmacokinetic predictions, and toxicity analysis.

Assessments of protodioscin's antinociceptive and antidiarrheal properties: in vivo and in silico investigations on macromolecule binding affinity and modulatory effects.

Protodioscin (PRO) is a furostanol saponin with antioxidant and anti-inflammatory properties. However, there is no proof against nociception and diarrhea. The study aims to investigate the antinociceptive and antidiarrheal effects of PRO, comparing its efficacy with diclofenac sodium (DFS) and loperamide (LOP) using in vivo and in silico methods.

Optimizing Linezolid: Transforming It into a Selective MAO-B Inhibitor via a Toxicity-to-Activity Optimization Approach.

Linezolid, a widely used oxazolidinone antibiotic, exhibits potent activity against resistant bacterial infections but is associated with serotonergic toxicity, primarily due to its inhibition of monoamine oxidase (MAO). MAOs, consisting of MAO-A and MAO-B isoforms, play crucial roles in neurotransmitter metabolism, with implications for neurodegenerative disorders like Parkinson's and Alzheimer's diseases. This study aims to optimize Linezolid's structure to transform it into a selective MAO-B inhibitor.

Synergistic Anxiolytic Effects of Linalool and Sesamol Co-Treatment on Swiss Albino Mice: A Potential GABAergic Intervention.

Sesamol (SES) and linalool (LIN) are aromatic compounds that have neuroprotective effects. The main purpose of this study is to evaluate the anxiolytic activity of LIN and SES co-treatment on Swiss albino mice and analyze its possible mechanism through in silico study. In this sense, the mice were given the gamma-aminobutyric acid type A receptors (GABA) agonist diazepam (DZP; 3 mg/kg, p.

Network Pharmacology and Elucidation of Phytochemicals Extracted from Ajwa Dates ( L.) to Inhibit Akt and PI3K Causing Triple Negative Breast Cancer (TNBC).

Background: About 10-15% of all breast cancers comprise triple-negative breast cancer (TNBC), defined as cancer cells that lack ER, PR, and HER2 protein receptors. Due to the absence of these receptors, treating TNBC using conventional chemotherapy is challenging and, therefore, requires the discovery of novel chemotherapeutic agents derived from natural sources.

Objective: The current work was intended to study the potential phytochemicals of Ajwa dates ( L.