Machine Learning Prediction of 3D Domain Swapping Proteins in Medicinal Plants.

3D domain swapping is a protein structural phenomenon in which two or more protein subunits exchange identical structural subunits and form oligomers. Proteins that exhibit 3D domain swapping play a crucial role in various biological functions, such as secondary metabolite biosynthesis, and in coping with several biotic and abiotic stresses in medicinal plants. This study investigates the ability to predict 3D domain swapping patterns among the genomes of medicinal plants using random forest and K-nearest neighbor classifiers models, demonstrating accuracies of 91.

Deciphering the structural dynamics of Argonaute (AGO)-mediated gene silencing of miR-21-5p, miR-221-3p, miR-126-3p, miR-34a-5p and their role as potential biomarkers in lung cancer.

Lung Cancer is the leading cause of cancer-related deaths worldwide, with over 85% of the cases being of non-small cell lung cancer. Despite the recent advances, lung cancer remains undiagnosed until after the disease has advanced. The role of miRNAs in gene silencing is driven by RNA-induced silencing complex (RISC) consisting of Argonaute (AGO) protein.

In silico identification and structural insight of allergens in Pleurotus ostreatus.

Background: Computational approaches offer advantages for initial food allergenicity assessment. This study assesses and confirms the allergenicity based on the cross-reactivity of allergen proteins in Pleurotus ostreatus using computational methods.

Results: The possible cross-reactivity between mushroom proteins and already known allergens from an online allergen database was assessed using FASTA alignment on the basis of sequence identity percentage parameter >85%.

Analyzing the role of genetic variants in microRNAs and its role as a modulator towards Chronic Obstructive Pulmonary disease (COPD) susceptibility in North Indian population.

Background: miRNAs can target numerous genes, with slight expression changes potentially leading to significant alterations in protein-coding gene expression, affecting various biological processes and possibly worsening conditions like COPD.

Objectives: This study examines the link between six miRNA SNPs (MIR605, MIR608, MIR3117, MIR149, MIR499, and MIR25) and COPD risk in a North Indian population and the functional impact of these miRNA-SNPs on COPD-related pathological factors.

Materials And Methods: To assess genotypes, a case-control study was conducted with 323 COPD cases and 350 hospital controls.

Luliconazole-niacinamide lipid nanocarrier laden gel for enhanced treatment of vaginal candidiasis: , , and preclinical insights.

A lipid-based nanocarrier system is a novel technique for the delivery of poorly soluble drugs through topical delivery. This study developed a dual-drug (luliconazole: LZ, and niacinamide: NM) loaded lipid nanocarrier (LN)-laden gel for the treatment of vaginal candidiasis. The LNs were prepared using cholesterol and soya-α-lecithin through a thin-film hydration technique.

Allergic potential & molecular mechanism of skin sensitization of cinnamaldehyde under environmental UVB exposure.

Fragrance, a key ingredient in cosmetics, often triggers skin allergy causes rashes, itching, dryness, and cracked or scaly skin. Cinnamaldehyde (CA), derived from the bark of the cinnamon tree, used as a fragrance and is a moderate skin sensitizer. CA exhibits strong UVB absorption, its allergic potential and the molecular mechanisms underlying skin sensitization under UVB exposure remain largely unexplored.

Natural autophagy activators: A promising strategy for combating photoaging.

Background: Photodamage to the skin stands out as one of the most widespread epidermal challenges globally. Prolonged exposure to sunlight containing ultraviolet radiation (UVR) instigates stress, thereby compromising the skin's functionality and culminating in photoaging. Recent investigations have shed light on the importance of autophagy in shielding the skin from photodamage.

Screening and analysis of single nucleotide polymorphism in the 3'-UTR microRNA target regions and its implications for lung tumorigenesis.

The study aims to identify high-impact single nucleotide polymorphisms (SNPs) in miRNA target sites of genes associated with lung cancer. Lung cancer genes were obtained from Uniprot KB. miRNA target site SNPs were mined from MirSNP, miRdSNP and TargetScan.

analysis of Diosmetin as an effective chemopreventive agent against prostate cancer: molecular docking, validation, dynamic simulation and pharmacokinetic prediction-based studies.

Prostate cancer is the second most dangerous cancer type worldwide. While various treatment options are present i.e.

In silico study of novel alpha tocopheroids as effective inhibitors of aldo-keto reductase 1c3 (AKR1C3) enzyme.

Aldo-keto reductase 1C3 (AKR1C3) is a monomeric enzyme expressed in steroidogenic tissues such as the testis, prostate, uterus, and breast. Overexpression of this AKR1C3 is associated with vast cancers such as breast, colon, colorectal, endometrial, prostate, and acute myeloid leukaemia. Regarding the treatment of castration-resistant prostate cancer, breast cancer, and acute myeloid leukaemia, AKR1C3 inhibitors may offer clear advantages over currently available therapies.

Design of a multi-epitope vaccine against the pathogenic fungi Candida tropicalis using an in silico approach.

Background: Candida tropicalis causes tropical invasive fungal infections, with a high mortality. This fungus has been found to be resistant to antifungal classes such as azoles, echinocandins, and polyenes in several studies. As a result, it is vital to identify novel approaches to prevent and treat C.

miRNAs are now starring in "No Time to Die: Overcoming the chemoresistance in cancer".

Cancer is a leading cause of death globally, with about 19.3 million new cases reported each year. Current therapies for cancer management include-chemotherapy, radiotherapy, and surgery.

Structural insights into the amino acid usage variations in the profilin gene family.

Profilin protein is present ubiquitously in all forms of life and is allied with allergic responses among atopic individuals. In addition to this, profilins from various food sources are also associated with IgE cross-reactivity and are thus classified as pan-allergens. The present study unravels the physicochemical basis of differential amino acid usage patterns observed in the profilin gene family.

T-cell epitope-based vaccine designing against Orthohantavirus: a causative agent of deadly cardio-pulmonary disease.

Orthohantavirus, a zoonotic virus responsible for causing human cardio-pulmonary disease, is proven to be a fatal disease. Due to the paucity of regimens to cure the disease and efficient management to eradicate this deadly virus, there is a constant need to expand in-silico approaches belonging to immunology domain to formulate best feasible peptide-based vaccine against it. In lieu of that, we have predicted and validated an epitope of nine-residue-long sequence "MIGLLSSRI".

Screening of potent drug inhibitors against SARS-CoV-2 RNA polymerase: an in silico approach.

COVID-19 has emerged as a rapidly escalating serious global health issue, affecting every section of population in a detrimental way. Present situation invigorated researchers to look for potent targets, development as well as repurposing of conventional therapeutic drugs. NSP12, a RNA polymerase, is key player in viral RNA replication and, hence, viral multiplication.

Bioaccumulation and Toxicity of As in the Alga Chlorococcum sp.: Prospects for As Bioremediation.

Ubiquitous distribution, fast growth rate and manifold relevance has credited algae a potential bioresource in current state of affairs of environmental degradation. In the present study, green alga Chlorococcum sp. has been collected from waste water, isolated and cultured to assess their accumulation and toxicity responses at different As(III) concentration.

Transcriptome analysis reveals plasticity in gene regulation due to environmental cues in Primula sikkimensis, a high altitude plant species.

Background: Studying plasticity in gene expression in natural systems is crucial, for predicting and managing the effects of climate change on plant species. To understand the contribution of gene expression level variations to abiotic stress compensation in a Himalaya plant (Primula sikkimensis), we carried out a transplant experiment within (Ambient), and beyond (Below Ambient and Above Ambient) the altitudinal range limit of species. We sequenced nine transcriptomes (three each from each altitudinal range condition) using Illumina sequencing technology.

Genome-Wide Analysis of Domain-Swap Predicted Products in the Genome of Anti-Stress Medicinal Plant: .

Computational approaches to high-throughput data are gaining importance because of explosion of sequences in the post-genomic era. This explosion of sequence data creates a huge gap among the domains of sequence structure and function, since the experimental techniques to determine the structure and function are very expensive, time taking, and laborious in nature. Therefore, there is an urgent need to emphasize on the development of computational approaches in the field of biological systems.

GABA accretion reduces Lsi-1 and Lsi-2 gene expressions and modulates physiological responses in Oryza sativa to provide tolerance towards arsenic.

GABA counteracts wide range of stresses through regulation of GABA shunt pathway in plants. Although, GABA assisted tolerance against As toxicity in plants is still unexplored. We have examined GABA induced tolerance in rice seedlings with two exposure periods of GABA i.

Genome-Wide Prediction and Analysis of 3D-Domain Swapped Proteins in the Human Genome from Sequence Information.

3D-domain swapping is one of the mechanisms of protein oligomerization and the proteins exhibiting this phenomenon have many biological functions. These proteins, which undergo domain swapping, have acquired much attention owing to their involvement in human diseases, such as conformational diseases, amyloidosis, serpinopathies, proteionopathies etc. Early realisation of proteins in the whole human genome that retain tendency to domain swap will enable many aspects of disease control management.