Advancements in understanding the role and mechanism of sirtuin family (SIRT1-7) in breast cancer management.

Breast cancer (BC) is the most prevalent type of cancer in women worldwide and it is classified into a few distinct molecular subtypes based on the expression of growth factor and hormone receptors. Though significant progress has been achieved in the search for novel medications through traditional and advanced approaches, still we need more efficacious and reliable treatment options to treat different types and stages of BC. Sirtuins (SIRT1-7) a class III histone deacetylase play a major role in combating various cancers including BC.

Pharmacophore-guided in-silico discovery of SIRT1 inhibitors for targeted cancer therapy.

Epigenetic modifier, Sirtuin (SIRTs) is a family of seven isoforms (SIRT1-7) and nicotinamide adenine dinucleotide (NAD+) dependent class III histone deacetylase (HDACs) protein. SIRT1 in association with the p53 protein can regulate crucial cell processes such as glucose metabolism, lipid metabolism, mitochondrial biogenesis, DNA repair, oxidative stress, apoptosis, and inflammation through the process of deacetylation. When SIRT1 deacetylates p53, it loses its tumor suppression property.

Review on the extension of shelf life for fruits and vegetables using natural preservatives.

Fruits and vegetables are important for the nutrition and health of individuals. They are highly perishable in nature because of their susceptibility to microbial growth. Foodborne pathogens create a significant problem for consumers, food businesses, and food safety.

Computational identification of potential tau tubulin kinase 1 (TTBK1) inhibitors: a structural analog approach.

Unlabelled: Abnormal deposition or aggregation of protein alpha-synuclein and tau in the brain leads to neurodegenerative disorders. Excessive hyperphosphorylation of tau protein and aggregations destroys the microtubule structure resulting in neurofibrillary tangles in neurons and affecting cytoskeleton structure, mitochondrial axonal transport, and loss of synapses in neuronal cells. Tau tubulin kinase 1 (TTBK1), a specific neuronal kinase is a potential therapeutic target for neurodegenerative disorders as it is involved in hyperphosphorylation and aggregation of tau protein.

Integrating machine learning and high throughput screening for the discovery of allosteric AKT1 inhibitors.

Evidence from clinical and experimental investigations reveals the role of AKT in oral cancer, which has led to the development of therapeutic and pharmacological medications for inhibiting AKT protein. Despite prodigious effort, researchers are searching for new allosteric inhibitors as orthosteric inhibitors are non-selective and exert off-target effects. In the current study, we proposed an integrated computational workflow for identifying allosteric AKT1 inhibitors as this isoform is highly correlated with poor prognosis and survival.

Structure based virtual screening and discovery of novel inhibitors against FabD protein of .

The highly flexible nature of can be owed to its tough cell wall and multiple gene interaction system which makes it resistant to frontline TB drugs. Mycolic acids are the key components of the unique cell wall that protects the organism from external threats. Proteins of the fatty acid synthesis pathway are evolutionarily conserved that enables cellular survival in harsh conditions and hence have become attractive targets.

Identification of allosteric inhibitor against AKT1 through structure-based virtual screening.

AKT (serine/threonine protein kinase) is a potential therapeutic target for many types of cancer as it plays a vital role in cancer progression. Many AKT inhibitors are already in practice under single and combinatorial therapy. However, most of these inhibitors are orthosteric / pan-AKT that are non-selective and non-specific to AKT kinase and their isoforms.

Latent tuberculosis: interaction of virulence factors in Mycobacterium tuberculosis.

Tuberculosis (TB) remains a prominent health concern worldwide. Besides extensive research and vaccinations available, attempts to control the pandemic are cumbersome due to the complex physiology of Mycobacterium tuberculosis (Mtb). Alongside the emergence of drug-resistant TB, latent TB has worsened the condition.

Genetic alterations and clinical dimensions of oral cancer: a review.

Oral cancer ranks sixth most prevalent type of cancer worldwide due to its alarming increase every year. Progression of oral cancer depends on various heterogeneity pathways, but their exact mechanism remains unclear. Genetic aberrations on oral cancer cells set back the effectiveness of existing therapies and make it more challenging by triggering drug resistance.

Aug-MIA-QSAR based strategy in bioactivity prediction of a series of flavonoid derivatives as HIV-1 inhibitors.

Multivariate image analysis-quantitative structure-activity relationship (MIA-QSAR) is a simple and quite accessible QSAR method for predicting biological activities of compounds based on two-dimensional image analysis. Aug-MIA-QSAR is a modified version of multivariate image analysis, where the atoms in 2D chemical structures were augmented (labelled by assigning specific colours). This study focuses on efficiently constructing such prediction models using a dataset of flavonoid derivatives possessing human immunodeficiency virus - 1 inhibition.

MIA-QSAR based model for bioactivity prediction of flavonoid derivatives as acetylcholinesterase inhibitors.

Alzheimer's disease is a common form of dementia, which considered to be a major health concern. Multivariate Image Analysis - Quantitative Structure-Activity Relationship (MIA-QSAR) is a simple and quite accessible QSAR method for predicting biological activities of unstudied compounds based on 2D image analysis. This study focuses on constructing an efficient QSAR model using a dataset of 52 flavonoid derivatives (substituted with amino-alkyl, alkoxy, alkyl-amines, and piperidine groups) as active compounds against acetylcholinesterase inhibitors (AChE).

In vitro inhibition potential of mono-n-octyl phthalate on Mycobacterium tuberculosis H37Ra: Possibility of binding to mycobacterial PknB-An in silico approach.

Fatty acids of specific chain lengths have been shown to inhibit the growth of Mycobacterium tuberculosis. In the present study, specific synthetic aromatic derivatives of n-octyl esters were investigated for their property to inhibit the growth of M. tuberculosis H37Ra.

Lauric acid and myristic acid from Allium sativum inhibit the growth of Mycobacterium tuberculosis H37Ra: in silico analysis reveals possible binding to protein kinase B.

Context: The bulb of Allium sativum Linn (Alliaceae) has numerous medicinal values. Though the petroleum ether extract of the bulb has shown to exhibit antimycobacterial activity, the phytochemical(s) responsible for this inhibitory activity is not known.

Objective: To characterize the bioactive compounds in the petroleum ether extract of Allium sativum (garlic) that inhibit the growth of Mycobacterium tuberculosis H37Ra.