Oligosaccharides: a comprehensive review of various types, biological activities and emerging health benefits.

Oligosaccharides (OS's) have gained significant attention as functional food ingredients due to their diverse health-promoting properties and broad industrial applicability. OS support the maintenance and proliferation of beneficial gut microbiota, thereby contributing to improved gastrointestinal health. Beyond their prebiotic functions, OS serve as low-calorie sweeteners and stabilizers while aiding in the prevention of dental caries, modulation of immune responses, regulation of blood glucose and lipid profiles, enhancement of mineral bioavailability, and exertion of antioxidant effects.

Unveiling transcriptional regulation underpinning chilling and frost stress response in Trans-Himalayan Hippophae tibetana L.

Hippophae tibetana is an enigmatic least explored Seabuckthorn species, with exceptional adaptability to sub-zero temperatures in Trans-Himalayan region. This study integrates physiological and transcriptional profiling to understand its unique cold stress resilience. The physiological assessment including chlorophyll content, relative water content, and electrolyte leakage were least affected during the early response (ER) of cold stress as compared to prolonged (PR) and freeze response (FR), which was effectively restored during the recovery phase (RR).

EGFR: a predictive machine learning model for assessing small molecule activity against the epidermal growth factor receptor.

Epidermal growth factor receptor (EGFR) is a membrane-bound protein that interacts with epidermal growth factor, triggering receptor dimerization and tyrosine autophosphorylation, subsequently promoting cell proliferation. EGFR-associated pathways regulate cell housekeeping functions like growth, division, and apoptosis. However, the mutations/overexpression of EGFR cause unrestrained cell differentiation, leading to tumorigenesis.

Naturally Occurring Epialleles and Their Roles in Response to Climate Change in Birch.

Epigenetics has been proposed to be an important mechanism that enables plant species to respond and adapt to environmental and climatic fluctuations and is sometimes entirely uncoupled from genetic variation. Nevertheless, the extent of this uncoupling and the contribution of epigenetics to plant responses to global climate change have not been well studied, particularly in forest trees. Here, we generated a high-quality genome assembly for Betula platyphylla, a key pioneer species in temperate and boreal forest ecosystems, one of the most sensitive areas to global warming.

Plant-derived triterpenoid saponins: multifaceted roles and bioengineering prospects.

Saponins are plant secondary metabolites synthesized through the triterpenoid biosynthetic pathway by a series of modifications, including acylation, glycosylation, and oxidation of β-amyrin, a product of 2,3-oxidosqualene. They are classified into triterpenoid saponins and steroidal saponins, exhibiting diverse bioactivities and applications in the pharmaceuticals, agriculture, cosmetics, and food industries. Beyond their industrial relevance, saponins play a crucial role in plant defense, stress tolerance, and shaping of rhizosphere microbiota.

Computational Approach for Detection and Analysis of Human-Virus Protein-Protein Interactions.

The realm of host-pathogen interactions (HPIs) spans a diverse spectrum of biological occurrences. Within this domain, hosts are represented by both humans and plants, while pathogens encompass a variety of agents, such as viruses, fungi, and bacteria. These interactions serve as foundational elements in the fields of immunology, microbiology, pathology, and medicine.

Transcriptional landscape illustrates the diversified adaptation of medicinal plants to multifactorial stress combinations linked with high altitude.

This study at high-altitude alpine environment reveals the molecular signatures associated with stress response and secondary metabolite accumulation, contributing to Picrorhiza kurroa adaptation, which is primarily regulated by a strong interplay of phytohormones. The high-altitude alpine environment is an extreme and variable environment with unique combinations of abiotic/biotic stresses. Despite progress about plant response to individual and combined abiotic stress in controlled conditions, our knowledge of plant adaptations to multifactorial stress combinations that typically occur in alpine environments is limiting.

Computational prediction of Homo sapiens-Candida albicans protein-protein interactions reveal key virulence factors using dual RNA-Seq data analysis.

A prevalent pathobiont, Candida albicans, accounts for approximately 70% of fungal infections worldwide owing to its virulence traits that culminate in devastating fatalities within healthcare facilities. Protein-protein interactions (PPIs) between Homo sapiens and C. albicans play a pivotal role in infection and disease progression.

Evaluation of Pyrrolone-Fused Benzosuberene MK2 Inhibitors as Promising Therapeutic Agents for HNSCC: In Vitro Efficacy, In-Vivo Safety, and Pharmacokinetic Profiling.

MAPKAPK2/MK2 is well implicated in the progression of Head and Neck Squamous Cell Carcinoma (HNSCC), and potent MK2-inhibitors are required to suppress its activity. Several MK2-inhibitors have been developed in recent years to combat its effects on cancer. However, inadequate solubility, insufficient cellular permeability, systemic toxicity-mediated side effects, and low bioavailability have severely impeded the advancement of MK2-inhibitors to clinical trials.

Small molecules inhibiting EPHEMERAL1 to extend flower longevity by regulating petal senescence.

Everlastin1 and Everlastin2, potent inhibitors of EPH1, were identified through a wheat cell-free chemical-screening system. This innovative platform enables the development of small molecules that target 'undruggable' transcription factors. By specifically targeting the EPH1 pathway, these inhibitors delay petal senescence, extending the longevity and quality of ornamental flowers.

Comprehensive analysis of computational approaches in plant transcription factors binding regions discovery.

Transcription factors (TFs) are regulatory proteins which bind to a specific DNA region known as the transcription factor binding regions (TFBRs) to regulate the rate of transcription process. The identification of TFBRs has been made possible by a number of experimental and computational techniques established during the past few years. The process of TFBR identification involves peak identification in the binding data, followed by the identification of motif characteristics.

Novel pyrrolone-fused benzosuberene MK2 inhibitors: synthesis, pharmacophore modelling, molecular docking, and anti-cancer efficacy evaluation in HNSCC cells.

Head and neck Squamous Cell Carcinoma (HNSCC) is a growing concern worldwide and MAPKAPK2/MK2 (Mitogen-Activated Protein Kinase Activated Protein Kinase 2) is crucially involved in HNSCC progression. Increased disease burden and lacuna of targeted therapies require novel and safe pharmacological inhibitors to suppress the well-explored molecular targets in HNSCC. Here, we used dibromo-substituted benzosuberene synthesized from the mixture of α, β, γ-himachalenes and utilized as a precursor for the synthesis of Pyrrolone-fused benzosuberenes (PfBS) as MK2 inhibitors through aminocarbonylation approach in a single-pot reaction.

Computational and experimental analysis of Luteolin-β-cyclodextrin supramolecular complexes: Insights into conformational dynamics and phase solubility.

Investigating the structural stability of poorly-soluble luteolin (LuT) after encapsulation within cyclodextrins (CDs) is crucial for unlocking the therapeutic potential of LuT bioactive molecule. Herein, native and modified β-CD were employed to investigate LuT inclusion complex formation. Molecular mechanics (MM) and quantum mechanics (QM) were utilized for structural dynamics analysis.

Driving forces and large scale affinity calculations for piperine/γ-cyclodxetrin complexes: Mechanistic insights from umbrella sampling simulation and DFT calculations.

Piperine (PiP), a bioactive molecule, exhibits numerous health benefits and is frequently employed as a co-delivery agent with various phytomedicines (e.g., curcumin) to enhance their bioavailability.

HSFA1 heat shock factors integrate warm temperature and heat signals in plants.

Warm temperatures and heat stress trigger distinct plant responses. Recently, Li et al. and Tan et al.

PTFSpot: deep co-learning on transcription factors and their binding regions attains impeccable universality in plants.

Unlike animals, variability in transcription factors (TFs) and their binding regions (TFBRs) across the plants species is a major problem that most of the existing TFBR finding software fail to tackle, rendering them hardly of any use. This limitation has resulted into underdevelopment of plant regulatory research and rampant use of Arabidopsis-like model species, generating misleading results. Here, we report a revolutionary transformers-based deep-learning approach, PTFSpot, which learns from TF structures and their binding regions' co-variability to bring a universal TF-DNA interaction model to detect TFBR with complete freedom from TF and species-specific models' limitations.

Lysine and citric acid based pegylated polymeric dendritic nano drug delivery carrier and their bioactivity evaluation.

The main objective of this work is to synthesize multifunctional nanodendritic structural molecules that can effectively encapsulate hydrophilic as well as hydrophobic therapeutic agents. Four different types of fourth-generation lysine-citric acid based dendrimer have been synthesized in this work: PE-MC-Lys-CA-PEG, TMP-MC-Lys-CA-PEG, PE-MS-Lys-CA-PEG, and TMP-MS-Lys-CA-PEG. The antibacterial drug cefotaxime (CFTX) was further conjugated to these dendrimers.

Climate-related naturally occurring epimutation and their roles in plant adaptation in A. thaliana.

DNA methylation has been proposed to be an important mechanism that allows plants to respond to their environments sometimes entirely uncoupled from genetic variation. To understand the genetic basis, biological functions and climatic relationships of DNA methylation at a population scale in Arabidopsis thaliana, we performed a genome-wide association analysis with high-quality single nucleotide polymorphisms (SNPs), and found that ~56% on average, especially in the CHH sequence context (71%), of the differentially methylated regions (DMRs) are not tagged by SNPs. Among them, a total of 3235 DMRs are significantly associated with gene expressions and potentially heritable.

Identification of potent BRD4-BD1 inhibitors using classical and steered molecular dynamics based free energy analysis.

In the present work a combination of traditional and steered molecular dynamics based techniques were employed to identify potential inhibitors against the human BRD4 protein (BRD4- BD1); an established drug target for multiple illnesses including various malignancies. Quinoline derivatives that were synthesized in-house were tested for their potential as new BRD4-BD1 inhibitors. Initially molecular docking experiments were performed to determine the binding poses of BRD4-BD1 inhibitors.

Eco-physiological trait variation in widely occurring species of Western Himalaya along elevational gradients reveals their high adaptive potential in stressful conditions.

Species distributed across a wide elevation range have broad environmental tolerance and adopt specific adaptation strategies to cope with varying climatic conditions. The aim of this study is to understand the patterns of variation in leaf eco-physiological traits that are related to the adaptation of species with a wide distribution in different climatic conditions. We studied the variability in eco-physiological traits of two co-occurring species of Western Himalaya (Rumex nepalensis and Taraxacum officinale), along elevational gradients.

Genome-wide transcriptional profiling and physiological investigation elucidating the molecular mechanism of multiple abiotic stress response in Stevia rebaudiana Bertoni.

Considering the major source of plant-derived low/non-calorie steviol glycosides (SGs), comprehensive physiological, biochemical, and deep transcriptional investigations were conducted to explicit deeper insight into multiple abiotic stress responses in Stevia rebaudiana. The physiological indicators including photosynthesis, chlorophyll, relative water content, shoot growth, electrolyte leakage, and SG biosynthesis were negatively impacted under drought (DS), followed by salinity (SS) and waterlogging (WS). Global transcriptional analysis revealed significant upregulated expression of the genes encoding for ROS detoxification (GST, SOD, APX, glutathione peroxidase), osmotic adjustment (alpha-trehalose-phosphate and S-adenosylmethionine decarboxylase), ion transporters (CAX, NHX, CNGS, VPPase, VATPase), water channel (PIP1, TIP) and abiotic stress-responsive candidate genes (LEA, HSPs, and Dehydrins) regulating abiotic stress response in S.

Highly robust quantum mechanics and umbrella sampling studies on inclusion complexes of curcumin and β-cyclodextrin.

The poor aqueous solubility of curcumin (CUR) obstructs its wide utilization in nutraceuticals, cosmetics, and pharmaceutical companies. This study is dedicated to investigate the stability of CUR inside the hydrophobic pocket of β-cyclodextrin (β-CD), hydroxypropyl-β-CD (HP-β-CD), and 2,6-Di-O-methyl-β-CD (DM-β-CD). Initially, molecular mechanics (MM) calculations and subsequently quantum mechanical (QM) calculations were performed on inclusion complexes to strengthen the MM results.