Dipeptidyl peptidase-4 DPP-4 inhibition has remained one of the most established ways in treating type 2 diabetes mellitus. Therefore, the development of improved DPP-4 inhibiters is consideredan essential strategy in the design of antidiabetic drugs. In the present study, a structure-based virtual approach was considered to design and evaluate new sitagliptin analogues with improved binding stability and pharmacokinetic properties. A virtual library consisting of 15,034 different compounds was created and then screened using a hierarchical Glide docking protocol (HTVS, SP, and XP). Using integrated computational analyses, the top ranked compounds were further assessed. Based on ADMET predictions, MM-GBSA binding free energy

Background: Hair loss is a frequent and distressing manifestation among patients with hypothyroidism. In addition to thyroid hormone imbalance, deficiencies in vitamins and minerals may contribute to impaired hair follicle function. Objective: This study aimed to assess serum vitamin and mineral profiles in patients with hypothyroidism-associated hair loss and to explore their relationship with thyroid hormone status. Methods: the study was conducted on a total of 90 participants, including 65 patients diagnosed with hypothyroidism-associated hair loss, 25 control - and sex-matched apparently healthy control subjects, groups aged 30 and over. Serum levels of vitamin D3, vitamin B12, zinc, iron, ferritin, calcium, magnesium, th

Community detection is one of the most fundamental applications in understanding the structure of complicated networks. Furthermore, it is an important approach to identifying closely linked clusters of nodes that may represent underlying patterns and relationships. Networking structures are highly sensitive in social networks, requiring advanced techniques to accurately identify the structure of these communities.Most conventional algorithms for detecting communities perform inadequately with complicated networks. In addition, they miss out on accurately identifying clusters. Since single-objective optimization cannot always generate accurate and comprehensive results, as multi-objective optimization can.Therefore,we utilized two objective

Oil exploration and extraction operations have contributed significantly to hydrocarbon contamination in surface water in Iraq. Molecules which acquire an adaptive properties through the genomic and metabolic changes of indigenous bacteria able to live in hydrocarbon polluted areas of the world are investigated. Water samples were gathered from twelve distinct polluted locations. GC-MS was used to determine the amount of hydrocarbons in the water. Chemical oxygen demand (COD) was measured to determine the level of pollution. Citrobacter freundii and Bacillus cereus were isolated and identified using 16S rRNA sequencing and VITEK 2. Bioinformatics analysis and whole-genome sequencing (WGS) were used to identify genetic mutations in hy

Background/Objectives: Cancer pain affects 55–95% of patients with advanced malignancy, representing a complex syndrome involving nociceptive, neuropathic and nociplastic mechanisms. Despite therapeutic advances, two-thirds of patients with metastatic cancer experience inadequate pain control. This scoping review synthesizes recent advances in cancer pain pathophysiology and management, focusing on molecular and cellular mechanisms, emerging pharmacological, interventional and technological therapies and key evidence gaps to inform future precision-based pain management strategies. Methods: Following PRISMA-ScR methodology, we searched PubMed, Embase, Scopus, and Web of Science for studies published between January 2022 and Septem

Radiofrequency catheter ablation is now widely recognized as a primary treatment for a range of arrhythmias and serves as the first-line therapy fo...

The growing emphasis on sustainable construction has prompted interest in repurposing agricultural by-products as alternatives to conventional aggregates in asphalt mixtures. While natural sand is widely available, its use can lead to less stable, more tender mixes, which can limit various specifications. This study explores the potential of palm date seed (PDS) powder as a partial and full replacement for natural sand in asphalt concrete. A series of laboratory tests was conducted to evaluate the effect of PDS incorporation on the mechanical and durability performance of asphalt mixtures, including Marshall properties, resilient modulus, fatigue resistance, moisture susceptibility, and permanent deformation. Additionally, microstructural a

As the leading cause of dementia, Alzheimer's disease (AD) is among the most prevalent progressive neurodegenerative diseases globally. The primary indicators of Alzheimer's disease consist of progressive memory impairment together with intellectual decline. Dementia cases from Alzheimer's disease constitute 50-60% of the total, while projections show these numbers will increase from 55 to 151 million by 2050. The development and enhancement of innovative therapeutic agents represent an absolute necessity for treating this medical condition.In this review, we will focus on synthesizing new promising therapeutic agents by many researchers that may improve some of the drawbacks of available drugs that only gave supportive care to Alzheimer's