Design, synthesis, graph theoretical analysis and molecular modelling studies of novel substituted quinoline analogues as promising anti-breast cancer agents.

The most promising class of heterocyclic compounds in medicinal chemistry are those with the quinolin-2-one nucleus. It is a versatile heterocyclic molecule that has been put together with numerous pharmaceutical substances and is crucial in the creation of anticancer medications. In this view, the present research work deals with design, synthesis, and characterization of various analogous of quinolin-2-one nucleus and evaluation of their anticancer activity against MCF-7 cells (adenoma breast cancer cell line).

Case-based Virtual Seminars on Masticatory Muscle Disorders during the COVID-19 Pandemic.

Due to the significant influence of COVID-19 pandemic on dental education in the recent past, interactive educational strategies were explored to engage students. Case-based seminars (CBS) were proposed on masticatory muscle disorders (MMDs) for post-graduate dental students through integration of pathophysiology with its etiology, diagnosis, and management. Effectiveness of CBS was done at Kirkpatrick's level 1 and level 2 hierarchy with a pre-test and a post-test.

Antioxidant and Teratogenic Activities of Formulated Agar Extracted from Brown Seaweed against Zebrafish Larvae.

This study examines the antioxidant and teratogenic effects of two different type's methods of formulating agar from () using a zebrafish model. The agar was extracted using the aqueous extraction method and developed in two different formulations using separate procedures. Formulated agar1 (FA1) used a higher concentration of the ingredients while formulated agar 2 (FA2) had a lesser concentration.

The Anticariogenic Efficacy of Nano Silver Fluoride.

Dental caries is a common chronic disease, and anyone can be at threat of it throughout their lifespan. In school-aged children, dental caries is the most frequent disease related with oral health. Contemporary dental caries management focuses on non-restorative, non-invasive, and micro-invasive therapeutic techniques that effectively eliminate the caries progression at the lesion level and decrease the loss of healthy tooth structure.

Aphrodisiac Performance of Bioactive Compounds from Linn.: In Silico Molecular Docking and Dynamics Simulation Approach.

Plants and their derived molecules have been traditionally used to manage numerous pathological complications, including male erectile dysfunction (ED). Linn. commonly referred to as the touch-me-not plant, and its extract are important sources of new lead molecules in drug discovery research.

Drugs-associated with red man syndrome: An integrative approach using disproportionality analysis and Pharmip.

What Is Known And Objective: Red man syndrome (RMS) is a non-IgE-mediated anaphylactoid adverse event frequently witnessed after a rapid infusion of vancomycin. This study aims to unravel drugs and associated off-label targets that induce RMS by exploiting FDA Adverse Event Reporting System (FAERS) and Pharmacovigilance/Pharmacogenomics Insilico Pipeline (PHARMIP).

Methods: The case/non-case retrospective observational study was conducted in the FAERS database.

Machine learning analysis on the impacts of COVID-19 on India's renewable energy transitions and air quality.

India is severely affected by the COVID-19 pandemic and is facing an unprecedented public health emergency. While the country's immediate measures focus on combating the coronavirus spread, it is important to investigate the impacts of the current crisis on India's renewable energy transition and air quality. India's economic slowdown is mainly compounded by the collapse of global oil prices and the erosion of global energy demand.

Faculty satisfaction and perception regarding emergency remote teaching : An exploratory study.

Background: The COVID 19 pandemic which made its presence felt by March 2020 made the educators and administrators, both of whom had very little experience with alternate teaching and learning methods, look for alternate methods of delivering the teaching learning. Because of the mandates from apex bodies, faculty members were forced to delve into an unknown territory of Emergency Remote Teaching (ERT). This study aimed to explore the factors that contributed to faculty satisfaction for ERT, the challenges faced, and suggestions for improving online teaching.

Zinc Oxide Nanoparticles: A Review on Its Applications in Dentistry.

Nanotechnology in modern material science is a research hot spot due to its ability to provide novel applications in the field of dentistry. Zinc Oxide Nanoparticles (ZnO NPs) are metal oxide nanoparticles that open new opportunities for biomedical applications that range from diagnosis to treatment. The domains of these nanoparticles are wide and diverse and include the effects brought about due to the anti-microbial, regenerative, and mechanical properties.

One material, many possibilities via enrichment of luminescence in LaZrO:Tb nanophosphors for forensic stimuli aided applications.

Engineering a single material with multidirectional applications is crucial for improving productivity, low cost, flexibility, least power consumption, etc. To achieve these requirements, novel design structures and high-performance materials are in urgent need. Lanthanide-doped nanophosphors have the greatest strengths and ability in order to tune their applications in various dimensions.

Profiles of Natural and Designed Protein-Like Sequences Effectively Bridge Protein Sequence Gaps: Implications in Distant Homology Detection.

Sequence-based approaches are fundamental to guide experimental investigations in obtaining structural and/or functional insights into uncharacterized protein families. Powerful profile-based sequence search methods rely on a sequence space continuum to identify non-trivial relationships through homology detection. The computational design of protein-like sequences that serve as "artificial linkers" is useful in identifying relationships between distant members of a structural fold.

Computational design of MmpL3 inhibitors for tuberculosis therapy.

Tuberculosis is a chronic communicable disease caused by Mycobacterium tuberculosis (Mtb) and spreads from lungs to lymphatic system. The cell wall of mycobacterium plays a prominent role in maintaining the virulence and pathogenicity and also acts as prime target for drug discovery. Hence, this study has put into emphasis with target MmpLs (Mycobacterial membrane proteins Large) which are significant for the growth and survival of Mycobacterium tuberculosis.

Erosive Effect of Acidic Beverages and Dietary Preservatives on Extracted Human Teeth-An In Vitro Analysis.

Objectives:  Frequent consumption of acidic beverages and dietary preservatives in younger generation, diet-conscious (celebrities), and obese individuals have a rapid impact on demineralization of the teeth. An attempt was made to analyze the erosive potential of various acidic beverages.

Materials And Methods:  One hundred and ninety extracted human permanent teeth were sectioned longitudinally, pre-weighed, randomly grouped, and placed in nine acidic beverages (200 mL) with predetermined pH, i.

investigation of gingival health and oxidative stress changes in patients undergoing orthodontic treatment with and without fluoride use.

Background And Aims: We aimed to investigate gingival index changes and oxidative stress in orthodontic patients with and without the use of fluoridated agents over a 6-month period.

Materials And Methods: Ninety subjects divided into three groups (30 untreated controls, 30 with fixed appliances using nonfluoridated toothpaste, and 30 with fixed appliances using fluoridated toothpastes and mouthwashes ) comprised the sample. The Loe gingival index was used to rank gingival health at four specific time periods in the groups to determine differences (before, at 7 days, 30 days, and 6 months).

Teaching Cariology in Asia and Arabia.

The European Organisation for Caries Research education platform 2020 had the aim to assess the undergraduate curriculum in cariology in Asian and Arabian countries in order to support structured teaching of cariology in these countries with about almost half of the global population. Representatives of 4 Asian and 4 Arabian countries completed a comprehensive questionnaire on structure of dental education in their country in general and the extent, the content, the responsibilities, structure and standardization regarding cariology in particular. In spite of a wide range from very few universities (Lebanon 3) to larger numbers of dental schools (India 313, China 121, Russia 52) there were similar statements on the list of content for cariology teaching.

Identification of and resistant species in tobacco users and oral squamous cell carcinoma patients: Comparison of HiCrome agar and automated VITEK 2 system.

Introduction: Candida is most common fungal pathogen in the immunocompromised and medically ill patients. Higher prevalence of has been reported in tobacco users and oral squamous cell carcinoma (OSCC) patients which may be due to immunosuppression. Recently, emergence of (NAC) species resistant to conventional antifungal treatment has been observed that requires accurate identification of organisms at species level for reduction of progression of suspicious oral lesions toward malignancy.

Aluminum Doping and Nanostructuring Enabled Designing of Magnetically Recoverable Hexaferrite Catalysts.

We demonstrate an approach based on substituting a magnetic cation with a carefully chosen isovalent non-magnetic cation to derive catalytic activity from otherwise catalytically inactive magnetic materials. Using the model system considered, the results illustratively present that the catalytically inactive but highly magnetic strontium hexaferrite (SrFeO; SFO) system can be transformed into a catalytically active system by simply replacing some of the magnetic cation Fe by a non-magnetic cation Al in the octahedral coordination environment in the SFO nanocrystals. The intrinsic SFO and Al-doped SrFeO (SrFeAlO; Al-SFO) nanomaterials were synthesized using a simple, eco-friendly tartrate-gel technique, followed by thermal annealing at 850 °C for 2 h.

In silico, in vitro screening of antioxidant and anticancer potentials of bioactive secondary metabolites from an endophytic fungus (Curvularia sp.) from Phyllanthus niruri L.

The main objective of this research work is to discover novel and efficient phytochemical substances from endophytic fungus found in medicinal plants. Curvularia geniculata L. (C.

Accelerated scale-up of Kangaroo Mother Care: Evidence and experience from an implementation-research initiative in south India.

Aim: Though Kangaroo Mother Care (KMC) has demonstrated benefits for low birth weight newborns, coverage continues to be low in India. As part of a World Health Organization (WHO) multi-country study, we explored intervention models to accelerate KMC coverage in a high priority district of Karnataka, India.

Methods: We used implementation-research methods, formative assessments and quality improvement approaches to design and scale-up interventions.

Estrogenic Activity of Tetrazole Derivatives Bearing Bisphenol Structures: Computational Studies, Synthesis, and In Vitro Assessment.

The classification of bisphenol A (BPA) as an industrial endocrine disruptor has led to a ban of this ubiquitous critical starting material from food and medical applications. Thus, scientists worldwide are researching to develop non-ER binding starting compounds to fulfill unmet market needs. In line with this trending research topic, the current paper highlights the development of tetrazole derivatives bearing a bisphenol structure (TbB) as a novel weak binder or potential inactive to the estrogen receptor (ER) and androgen receptor (AR).

Sequence Divergence and Functional Specializations of the Ancient Spliceosomal SF3b: Implications in Flexibility and Adaptations of the Multi-Protein Complex.

Multi-protein assemblies are complex molecular systems that perform highly sophisticated biochemical functions in an orchestrated manner. They are subject to changes that are governed by the evolution of individual components. We performed a comparative analysis of the ancient and functionally conserved spliceosomal SF3b complex, to recognize molecular signatures that contribute to sequence divergence and functional specializations.

Tuning the properties of truxene by successive substitution of nitrogen and sulphur heteroatoms: a DFT insight.

In this study, truxene, along with its nitrogen- and sulphur-substituted counterparts were investigated for their properties. The important characteristic properties of a potential conducting material such as HOMO-LUMO gap, electron affinity, ionization potential, and density of states were calculated and compared for analysis. Furthermore, Fukui function and dual descriptor analyses were also carried out, to identify the reactive sites in each of the molecules, as well as understand the effect of substituted heteroatoms.