Severe Acute Respiratory Syndrome Corona Virus (SARS-CoV-2) is the causative agent of COVID-19 pandemic, which has resulted in global fatalities since late December 2019. Alkaloids play a significant role drug design for various antiviral diseases, makes them viable candidates treating COVID-19. To identify potential agents, 102 known alkaloids were subjected to docking studies against two key targets SARS-CoV-2, namely spike glycoprotein and main protease. The vital mediating viral entry...

Phosphodiesterases (PDEs) are vital in signal transduction, specifically by hydrolyzing cAMP and cGMP. Within the PDE family, PDE10A is notable for its prominence striatum regulatory function over neurotransmitters medium-spiny neurons. Given dopamine deficiency Parkinson's disease (PD) that affects striatal pathways, inhibitors could offer therapeutic benefits modulating D1 D2 receptor signaling. This study was motivated successful history of quinazoline/quinazoline scaffolds inhibition...

COVID-19 is currently considered the ninth-deadliest pandemic, spreading through direct or indirect contact with infected individuals. It has imposed a consistent strain on both financial and healthcare resources of many countries. To address this challenge, there pressing need for development new potential therapeutic agents treatment disease. identify antiviral as novel dual inhibitors SARS-CoV-2, we retrieved 404 alkaloids from 12 selected medicinal plants virtually screened them against...

Tuberculosis (TB), an infectious disease caused by multi-drug resistant Mycobacterium tuberculosis (Mtb), has been a global health concern. Mtb affects over third of the world’s population, causing two million deaths annually due to its dormancy and propensity spread infection during this period. Resuscitation-promoting factor B (RpfB) plays pivotal role in growth dormant periods, making it critical target for eliminating curing TB. Gymnema sylvestre is famous medicinal plant with several...

Platelet-derived growth factor alpha (PDGFRA) plays a significant role in various malignant tumors. PDGFRA expression boosts thyroid cancer cell proliferation and metastasis. Radiorefractory is poorly differentiated, very aggressive, resistant to radioiodine therapy. Thus, novel anticancer drugs that inhibit its metastasis are urgently required. In this context, we proposed the inhibitors by an optimized structure-based drug design approach. We performed virtual screening of metabolites...

To find potential inhibitors of Naegleria fowleri S-adenosyl-L-homocysteine hydrolase (NfSAHH), a brain-eating parasite, structure-based drug design was adopted. N. fowlerica causes primary amebic meningoencephalitis (PAM), fatal central nervous system (CNS) disorder if untreated. NfSAHH protein (PDB ID: 5v96), involved in parasite growth and gene regulation, targeted screened against 163 metabolites from Gossypium hirsutum (cotton plant). With the aid different software web tools, were...

This study explored the effectiveness of secondary metabolites referred traditional Ayurvedic plants in treating fungal infections, particularly targeting Candida auris . Recognized as a global health threat, this fungus is notorious for its resistance to several antifungal treatments. The inhibition lanosterol 14α-demethylase causes depletion ergosterol, ultimately resulting cell growth. A total 469 metabolites, including alkaloids, flavonoids, and tannins from plants, were screened against...

Schizophrenia is a complex psychiatric disorder marked by delusions, memory impairments, hallucinations, disorganized behavior, and severe cognitive deficits. Targeting the dopamine transporter (DAT) protein promising for treating symptoms, especially in patients resistant to antipsychotic treatments. In this study, phytochemicals from six medicinal plants underwent virtual screening, molecular dynamics simulation identify potential agents targeting DAT. Key drug-like properties, safety,...

Alzheimer's disease and cerebral amyloid angiopathies (CAA) are clinically heterogeneous diseases, but pathogenically related by the deposition of beta A4-amyloid in brain form neuritic plaques and/or vascular infiltrates. Antibodies directed against N-terminal region predicted sequence A4 protein precursor (APP) were used to investigate cellular distribution this normal humans rats. We found a widespread presence APP throughout nervous tissue, including neurons, blood vessels, meningeal...

SARS-CoV-2 led to deadly and adverse impacts in the recent outbreak 2019 due lack of effective treatments. The current study aimed evaluate potential antiviral compounds found Asian medicinal plants for inhibition SARS-CoV-2's main protease spike glycoprotein. An in-house library 335 natural products was prepared from selected plants. Following virtual screening this against glycoprotein, top were subjected downstream analysis evaluating druggability toxicity analysis. Molecular dynamic...

Abstract: INTRODUCTION: Preterm birth is the most significant problem in current obstetric practice and according to WHO direct cause accounting for 24% of neonatal deaths. OBJECTIVES: To assess frequency outcome patients with preterm birth. METHODOLOGY: A prospective descriptive study was conducted at Gynae Unit III Jinnah Hospital Lahore over a period one year (from 1 st July 2011 30 th June included study. For data collection two groups were made depending upon duration pregnancy. Group l...

Drugabble genome of gram negative, multidrug resistant Klebsiella pneumoniae JM45, Vibrio cholerae O395 and Yersinia pestis D182038, to find the therapeutic potential by using various in silico approaches.After successful screening druggable candidates, on basis set parameters, a drug target candidate entE present all bacterial strains was selected.EntE is crucial for synthesis enterobactin which belongs biosynthesis siderophore pathway.Siderophores have applications medicine antibiotics...

Abstract: Diabetes Mellitus type 2 , formerly  non-insulin-dependent diabetes mellitus  (NIDDM) or adult-onset diabetes, is a  metabolic disorder  that characterized by high blood glucose in the context of  insulin resistance  and relative   deficiency 1 . The development of 2 associated with multiple risk factors, co-morbid medical conditions as well psychosocial determinants. These which differ from population to population, can be identified and controlled reduce incidence Mellitus....

Background: Squalene epoxidase gene is an azole antifungal target enzyme in the ergosterol biosynthesis pathway fungi—the inhibition of aggregate squalene, a type derivative depletion that leads to fungal growth inhibition. widely diverges three groups dermatophytes Trichophyton, Microsporum and Epidermophyton. Methodology: The study has demonstrated variety squalene genes dermatophyte genome. was also studied for possible single nucleotide polymorphism (SNPs) Trichophyton group's homologs...

Class B G-protein coupled receptors are involved in a wide variety of diseases and major focus drug design. Migraines common problem, one their causative agents is the class receptor, Calcitonin gene-related peptide (CGRP) target for competitive discovery. The calcitonin receptor-like receptor generates complexes with activity-modifying protein, which determines type protein formed. CGRP comprises complex formed from 1. In this study, an silico docking approach was used to bound form 1 (CGRP...

Objectives: This research study aimed to find out the relationship between smoking of cigarettes and pulmonary TB. Methodology : transverse conducted in Jinnah Hospital, Lahore city located South Punjab middle country Pakistan. We reviewed medical charts patients from TB 2016 year 2018. Total 61 having age 15 96 years with confirm were part case group & one hundred twenty two persons matched gender no (patients getting treatment other wards hospital) control group. collected information...