Clinico-genomic findings, molecular docking, and mutational spectrum in an understudied population with breast cancer patients from KP, Pakistan.

In this study, we report the mutational profiles, pathogenicity, and their association with different clinicopathologic and sociogenetic factors in patients with Pashtun ethnicity for the first time. A total of 19 FFPE blocks of invasive ductal carcinoma (IDC) from the Breast Cancer (BC) tissue and 6 normal FFPE blocks were analyzed by whole-exome sequencing (WES). Various somatic and germline mutations were identified in cancer-related genes, i.

Preliminary insights on the mutational spectrum of BRCA1 and BRCA2 genes in Pakhtun ethnicity breast cancer patients from Khyber Pakhtunkhwa (KP), Pakistan.

Gene mutations are a source of genetic instability which fuels the progression of cancer. Mutations in BRCA1 and BRCA2 are considered as major drivers in the progression of breast cancer and their detection indispensable for devising therapeutic and management approaches. The current study aims to identify novel pathogenic and recurrent mutations in BRCA1 and BRCA2 in Pakhtun population from the Khyber Pakhtunkhwa.

Mutational Landscape and In-Silico Analysis of , , and in Patients with Breast Cancer from Khyber Pakhtunkhwa.

Herein, we report the mutational spectrum of three breast cancer candidate genes (, , and ) using WES for identifying potential biomarkers. The WES data were thoroughly analyzed using SAMtools for variant calling and identification of the mutations. Various bioinformatic tools (SIFT, PolyPhen-2, Mutation Taster, ISPRED-SEQ, SAAFEQ-SEQ, ConSurf, PROCHECK etc.

Bandgap Engineering of Melon using Highly Reduced Graphene Oxide for Enhanced Photoelectrochemical Hydrogen Evolution.

The uncondensed form of polymeric carbon nitrides (PCN), generally known as melon, is a stacked 2D structure of poly(aminoimino)heptazine. Melon is used as a photocatalyst in solar energy conversion applications, but suffers from poor photoconversion efficiency due to weak optical absorption in the visible spectrum, high activation energy, and inefficient separation of photoexcited charge carriers. Experimental and theoretical studies are reported to engineer the bandgap of melon with highly reduced graphene oxide (HRG).

Controlling basal plane sulfur vacancy in water splitting MoSx/NiF electrocatalysts through electric-field-assisted pulsed laser ablation.

Eco-friendly, efficient, and durable electrocatalysts from earth-abundant materials are crucial for water splitting through hydrogen and oxygen generation. However, available methods to fabricate electrocatalysts are either hazardous and time-consuming or require expensive equipment, hindering the large-scale, eco-friendly production of artificial fuels. Here, we present a rapid, single-step method for producing MoS/NiF electrocatalysts with controlled sulfur-vacancies via electric-field-assisted pulsed laser ablation (EF-PLA) in liquid and deposition on nickel foam, enabling efficient water splitting.

Structure-based virtual screening and molecular docking of drugs against the SARS-CoV-2 spike protein-ACE2 receptor complex.

The agent responsible for the COVID-19 pandemic was the newly discovered coronavirus SARS-CoV-2. A trimeric spike protein on the SARS-CoV-2 virion binds to the ACE2 receptor on host cells. In this study we performed a structure-based virtual screening and molecular docking of existing drugs against a high-resolution structure of the SARS-CoV-2 spike protein-ACE2 receptor complex.

A structure-based virtual screening and molecular docking by using potent inhibitors against nucleoprotein of .

Background & Objectives: Crimean-Congo Hemorrhagic Fever Virus (CCHFV) is a vector borne pathogen, well-known for causing endemic hemorrhagic fever in Asia, Europe and Africa. There is no specific drug or vaccine available against CCHFV. The recent upsurge of Crimean-Congo Hemorrhagic Fever around the globe has made it a major health issue and this demands investigation for specific inhibitors to viral proteins.

Identification of Potential HCV Inhibitors Based on the Interaction of Epigallocatechin-3-Gallate with Viral Envelope Proteins.

Hepatitis C is affecting millions of people around the globe annually, which leads to death in very high numbers. After many years of research, hepatitis C virus (HCV) remains a serious threat to the human population and needs proper management. The in silico approach in the drug discovery process is an efficient method in identifying inhibitors for various diseases.

Identification of potential inhibitors of Zika virus NS5 RNA-dependent RNA polymerase through virtual screening and molecular dynamic simulations.

Zika virus (ZIKV) is one of the mosquito borne flavivirus with several outbreaks in past few years in tropical and subtropical regions. The non-structural proteins of are suitable active targets for inhibitory drugs due to their role in pathogenicity. In ZIKV, the non-structural protein 5 (NS5) RNA-Dependent RNA polymerase replicates its genome.

Compositional Engineering Study of Lead-Free Hybrid Perovskites for Solar Cell Applications.

Hybrid organic-inorganic perovskite solar cells (HOIPs), especially CHNHPbI (MAPbI), have received tremendous attention due to their excellent power conversion efficiency (25.2%). However, two fundamental hurdles, long-term stability and lead (Pb) toxicity, prevent HOIPs from practical applications in the solar industry.

In silico identification and structure function analysis of a putative coclaurine N-methyltransferase from Aristolochia fimbriata.

In this study we isolated and performed in silico analysis of a putative coclaurine N-methyltransferase (CNMT) from the basal angiosperm Aristolochia fimbriata. The Aristolochiaceae plant family produces alkaloids similar to the Papavaraceae family, and CNMTs are central enzymes in biosynthesis pathways producing compounds of ethnopharmacological interest. We used bioinformatics and computational tools to predict a three-dimensional homology model and to investigate the putative function of the protein and its mechanism for methylation.

Bleaching during orthodontic treatment and its effect on bracket bond strength.

Background: This study investigated the effect of two different methods of bleaching during orthodontic treatment on bracket bond strength.

Materials And Methods: A total of 45 extracted premolar teeth were selected in this experimental study and divided into three groups (office bleaching with 35% hydrogen peroxide, home bleaching with 22% carbamide peroxide, and control). The color of the teeth was assessed initially before the application of bleaching agents and Thermocycling.

To Evaluate and Compare Changes in Baseline Strength of Hairs after Treating them with Deionized Water and Hard Water and its Role in Hair Breakage.

Background And Aim: Interaction of hair with water is common. This study was conducted to compare changes in baseline strength of hair after treating it with hard water and deionized water.

Material And Methods: Hardness level of water samples collected from 10 districts of KP, Pakistan was determined, and that with maximum hardness was considered our sample hard water.

Whole-exome sequencing analysis reveals co-segregation of a COL20A1 missense mutation in a Pakistani family with striate palmoplantar keratoderma.

Palmoplantar keratoderma (PPK) is a rare group of excessive skin disorder characterized by thickness over the palms and soles. The striate palmoplantar keratoderma (PPKS) is a form in which hyperkeratotic lesions are restricted to the pressure regions extending longitudinally in the length of each finger to the palm. Dominantly inherited mutations in genes including desmoglein 1, desmoplakin and keratin 1 have been suggested as genetic causes of PPKS.

Effect of percutaneous transvenous mitral commissurotomy on brain natriuretic peptide in mitral stenosis in tertiary care hospitals of Peshawar.

The current study was planned to determine the effect of percutaneous transvenous mitral commissurotomy (PTMC) on brain natriuretic peptide (BNP) levels in mitral stenosis patients. It was conducted at the Postgraduate Medical Institute, Lady Reading Hospital, Peshawar, and Rehman Medical Institute Laboratory, Peshawar, Pakistan, from December 2013 to June 2014. Of the 100 patients, 63(63%) were females.

Laparoscopic versus open appendectomy in children: a randomized controlled trial from a developing country.

Background: Acute appendicitis is a common surgical emergency. This study was conducted to compare the outcome in terms of duration of surgery, length of hospital stay, and wound infection rate following laparoscopic versus open appendectomy in children with acute appendicitis.

Methods: A prospective randomized controlled trial was conducted.

Adipokine Serum visfatin level in pregnancy induced hypertension and uncomplicated pregnancy.

Background And Objectives: Hypertensive disorder in pregnancy is the significant disease that badly affects the maternal and fetal prognosis and lead to higher mortality and morbidity in the prenatal period. Visfatin, potentially a new adipokine has emerged having high contribution in pathogenesis of pre-eclampsia. The objective of the study was to find the level of Visfatin in pregnancy induced hypertension and normal pregnant women.

Effect of topical application of hard water in weakening of hair in men.

Background: Hard water is thought to play a key role in weakening of hair (not Hair Loss) and breakage especially when travelling is involved. In our community, commonly men do the travelling and complain more about hair problem which is why only young male individuals were included in this study.

Materials And Methods: Water samples from different districts of KPK, Pakistan, were collected and their hardness values were estimated to find the water sample of maximum and minimum water hardness in order to know the maximum hardness hair would encounter in KPK, Pakistan.

Quantification of Heavy Metals in Mining Affected Soil and Their Bioaccumulation in Native Plant Species.

Several anthropogenic and natural sources are considered as the primary sources of toxic metals in the environment. The current study investigates the level of heavy metals contamination in the flora associated with serpentine soil along the Mafic and Ultramafic rocks northern-Pakistan. Soil and wild native plant species were collected from chromites mining affected areas and analyzed for heavy metals (Cr, Ni, Fe, Mn, Co, Cu and Zn) using atomic absorption spectrometer (AAS-PEA-700).

Analysis of oxygen affinity in aquatic amphibian; homology modelling of the major haemoglobin component HbA1 from the African clawed frog (Xenopus laevis, Anura).

The homology model of major haemoglobin component HbA1 of the African Clawed Frog was predicted using the pigeon (Columba livia) haemoglobin as a template. The model was built with the help of MODELLER9v8. The models were evaluated with ProSA and PROCHECK.

Structural and functional features of Streptolysin O.

Streptolysin O, a 63 kDa exotoxin coded by slo gene, is a well-characterised thiol-activated cytolysin, which damages cholesterol-containing membranes resulting in disruption and lysis of the target cell. On the basis of homology model and secondary structure analysis, the toxin has four domains of which domain 4 is of particular importance and is directly linked to domain 2 by a glycine linker and remained consistent in initial membrane recognition. Domain 4 reduces the hydrophobic ratio when compared with its template, which would affect the activity of the toxin at low pH.