Background: Polycystic Ovary Syndrome (PCOS) is a common endocrine disorder linked to obesity, insulin resistance, and reproductive dysfunction. Despite various treatments, hormonal imbalances persist, complicating management. Objective: This study investigates the anthropometric profiles of PCOS patients, focusing on LH, FSH, body composition in treated untreated groups, compared healthy controls. Methods: A total 30 patients (15 treated, 15 untreated) 20 controls were assessed for BMI, fat...

Halophilic proteins have greater abundance of acidic over basic and very low bulky hydrophobic residues. Classical electrostatic stabilization was suggested as the key determinant for halophilic adaptation protein. However, contribution specific interactions (i.e. salt-bridges) to overall stability is yet be understood. To understand this, we use Adaptive-Poison-Boltzmann-Solver Methods along with our home-built automation workout net well associated component energy terms such desolvation...

The coronavirus disease 2019 (COVID-19) pandemic cost 7–8 million deaths worldwide, creating an unprecedented health and economic crisis. Affecting 700 people globally, the magnitude of this is far from anything that humanity has encountered in recent times. A detailed investigation revealed more than severe acute respiratory syndrome 2 (SARS-CoV-2) virus, hyperactive immune system mediated injury as real cause mortality. Cytokine storm following viral infection leads to surge...

Abstract Next‐generation sequencing (NGS) has emerged as a transformative technology in oncology, revolutionizing cancer diagnostics and personalized treatment strategies. By providing comprehensive insights into the genetic landscape of tumors, NGS enables identification critical somatic germline mutations, copy number variations (CNVs), gene fusions. Over past decade, advancements platforms have led to greater accuracy, speed, cost‐effectiveness, making it an integral part research...

Alkaptonuria (AKU) is an autosomal recessive disorder, which caused by a site-specific mutation(s) and thus, impaired the function of Homogentisate-1, 2-dioxygenase (HGD), essential enzyme for catabolism phenylalanine tyrosine. Among frameshift, intronic, splice-site missense mutations, latter has been most common form genetic variations disease. How do acquired mutations in HGD correlate with disease? Systematic staged-screening some sixty-five are known to have relation disease, GVGD,...

Abstract COVID‐19 is a sneaking deadly disease caused by severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2). The rapid increase in the number of infected patients worldwide enhances exigency for medicines. However, precise therapeutic drugs are not available COVID‐19; thus, exhaustive research critically required to unscramble pathogenic tools and probable targets development effective therapy. This study utilizes chemogenomics strategy, including computational identification...

Specific electrostatics (i.e.salt-bridge) includes both local and non-local interactions that contribute to the overall stability of proteins.It has been shown a salt-bridge could either be buried or exposed, networked isolated, hydrogen-bonded nonhydrogen bonded, in secondary-structure coil, formed by single multiple bonds.Further it also participates intra-or inter-dipole with preference orientation for basic residue at N-terminal (orientation-I) acidic (orientation-II).In this context...

Computer-aided antibody engineering has been successful in the design of new biologics for disease diagnosis and therapeutic interventions. Interleukin-6 (IL-6), a well-recognized drug target various autoimmune inflammatory diseases such as rheumatoid arthritis, multiple sclerosis, psoriasis, was investigated silico to potential lead antibodies. Here, crystal structure IL-6 along with monoclonal olokizumab explored predict antigen-antibody (Ag - Ab)-interacting residues using DiscoTope,...

Abstract The scaffold structure of noscapine (an antitussive plant alkaloid) was modified by inducting N ‐aryl methyl pharmacophore at C‐9 position the isoquinoline ring to rationally design and screened three novel 9‐( ‐arylmethylamino) noscapinoids, 15–17 with robust binding affinity tubulin. selected noscapinoids revealed improved predicted energy −6.694 kcal/mol for 15 , −7.118 16 −7.732 17 respectively in comparison lead molecule (−5.135 kcal/mol). These derivatives were chemically...

Automated genome sequencing procedure is enriching the sequence database very fast.To achieve a balance between entry of sequences in and their analyses, efficient software required.In this end PHYSICO2, compare to earlier PHYSICO other public domain tools, most that it i] extracts physicochemical, window-dependent homologousposition-based-substitution (PWS) properties including positional BLOCK-specific diversity conservation, ii] provides users with optional-flexibility setting relevant...

Component (bridge: ΔΔGbrd, background: ΔΔGprot, desolvation: ΔΔGdsolv) and net (ΔΔGnet) energy-terms of salt-bridge-structure (SBS) are auto-generated by the program ADSBET that makes use general purpose Adaptive Poison Boltzmann Solver (APBS) method.While procedure reports gross energy terms (Kcal Mol -1 ), report on bond-multiplicity corrected normalized energyterms Bond ) along with their accessibility (ASA) in monomer, isolated-SBS (ISBS) networked-SBS (NSBS) format would be very useful...

Abstract The emergence of multidrug‐resistant strains Candida albicans has become a global threat mostly due to co‐infection with immune‐compromised patients leading invasive candidiasis. life‐threatening form the disease can be managed quickly and effectively by drug repurposing. Thus, study used in silico approaches evaluate Food Drug Administration (FDA) approved drugs against three targets—TRR1, TOM40, YHB1. tertiary structures targets were modeled, refined, evaluated for their...

The COVID-19 pandemic cost 7-8 million deaths worldwide, creating an unprecedented health and economic crisis. Affecting 700 people globally, the magnitude of this is far from anything that humanity has encountered in recent times. A detailed investigation revealed more than SARS-CoV2 virus, hyperactive immune system mediated injury as real cause mortality. Cytokine storm following viral infection leads to surge proinflammatory cytokines resulting ARDS lung injury. Anti-inflammatory...

Wealth of structural data on theurapeutic targets in complex with monoclonal antibodies (mAbs) and advances molecular modeling algorithms present exciting opportunities the field novel biologic design. Interleukin 23 (IL23), a well-known drug target for autoimmune diseases, mAb 7G10 offers prospect to design potent lead by traversing complete epitope–paratope interface. Herein, key interactions aiding antibody-based neutralization IL23–7G10 are resolute through PyMOL, LigPlot+, Antibody...

Bone marrow kinase in the X chromosome (BMX), a Tec family kinase, play important role monocyte ⁄macrophage function and trafficking. BMX is expressed bone marrow, granulo ⁄monocytic cells an...

Background: Thrombotic disease is still a major killer. Aspirin, Ticagrelor, Clopidogrel, etc. are the most widely used conventional antiplatelet drugs. The significant number of patients who resistant to this drug shows poor outcome. Objective: Developing new agent with stable effect and minimal bleeding risk required for patient Methods: Protein-ligand docking was performed using Autodock Vina 1.1.2 study interaction 67LR different Polyphenols. Results: Among 18 polyphenols, thearubigin...

Most viruses–including SARS-CoV-2, seem to have evolved over time. The lack of stringent proofreading mechanisms makes viral DNA/RNA replication error-prone. When a virus replicates, it sometimes changes little bit, which is called mutations. Any with one or more new mutations can be referred as “variant” the original virus. last 2 years witnessed emergence large number variants. Since pandemic’s beginning, SARS-CoV-2 coronavirus has mutated extensively, resulting in different variants One...

Abstract Nature and nurture have always been a prerogative of evolutionary biologists. The environment’s role in shaping an organism’s phenotype has intrigued us. Since the inception humankind, twinning existed with unsettled parley on contribution nature (i.e. genetics) versus environment), which can influence phenotypes. study twins measures genetic that environmental for particular trait, acting as catalyst, fine-tuning phenotypic trajectories. This is further evident because number human...