Abstract Bonding agents are auxiliary but critical additives in composite propellants. The bonding agent ameliorates the processing and mechanical performance of propellant through interfacial interaction between particulate fillers binder matrix. Several have been developed over years to treat dewetting problem solid propellant. In this review, we describe different types agents, their mechanism development An individual is discussed critically terms its strengths weaknesses. review...

Abstract Azetidine substituent group has a wide range of application in organic chemistry and medical field. In this study, novel azetidine derivative its reaction mechanism been reported. Using quantum chemical method spectroscopic analysis other parameters such as electronic thermodynamic properties were studied to understand the physical well behavior reported compound. Additionally, study antiviral activity, molecular docking studies carried out against Hepatitis virus C (HCV) NS5B...

The HA3 influenza (H3N2) was originally found in 2011 and later appeared January 2021. As per WHO report, H3N2 has the potential of causing a pandemic; therefore, an inhibitor for should be designed. hemagglutinin variants have typical 18 subtypes present humans. Therefore, study, we generated phylogenetic tree understanding similarity sequence between also compared to H3N2. Thereafter, scaffold structures FDA-approved Peramivir were generated, among which, four compounds selected based on...

Nipah virus (NiV) is one of the most common viral diseases affecting brain and nervous system body. To date, there no significant antiviral drug specifically designed to inhibit NiV. In last ten years, has been a increase in interest multitarget development. Therefore, reported work focuses on designing inhibitor for Among twelve compounds, five exhibited better drug-likeness ADMET properties, hence being selected further analysis. molecular docking study, these compounds possessed binding...

Deoxyribonucleic acid has become the target of interest in recent years for number anticancer and antimicrobial drugs. The interaction drugs with nucleic is one important features pharmacology plays significant role to understand mechanism drug action designing more efficient lesser side effect present study reports some classes compounds explores their molecular DNA using modeling methods such as docking, dynamics simulation (MD) quantum mechanics/molecular mechanics (QM/MM) studies....

AbstractThe quest to identify antiviral drug candidates for dengue and rabies viral diseases is a great challenge the researchers. While different research being conducted on repurposed drugs against these two viruses, no compound has gained success in treating them. Therefore, this study, 3, 4-dihydroxy complexes have been virtually designed investigate their properties analyze efficiency interaction with concerned diseases. DFT calculations are carried out study electronic thermodynamic...

This paper reports the tunable transmission properties of asymmetric one-dimensional periodic structure (1DPS) composed SiO 2 and anisotropic metamaterial (AMM) layers with defect liquid crystal (LC) sandwiched by two layers, i.e., (SiO[Formula: see text]AMM)[Formula: text]SiO[Formula: text]LC[Formula: text](SiO[Formula: text]AMM) 3 using transfer matrix method (TMM). We have studied optical [Formula: a different incident angle electromagnetic wave for particular director LC molecules. The...

Computational docking is a globally used tool now-a-days in bioinformatics. All the drugs/ligands generate their effect only when they interact/bind with target molecule, here DNA. The potential can be identified by study of relative binding energies and preferential modes. Due to availability huge numbers such drugs/ligands; evaluation potency challenging task. In present work, carbazoles its derivatives were studied for DNA abilities using computational molecular docking. docked ligands...

Background and aims. Root conditioning is recommended as an adjunct to mechanical root surface debridement remove smear layer associated endotoxins. The aim of this study was compare the efficacy citric acid, ethylenediaminetetraacetic acid (EDTA), tetracycline hydrochloride biomodification agents. Materials methods. Fifteen freshly extracted teeth were planed specimens obtained from cervical twothirds root. Each tooth provided four be treated by saline (used control, EDTA for a total three...

Adult T-cell Lymphoma (ATL) is caused by the delta retrovirus family member known as Human Leukaemia Type I (HTLV-1). Due to unavailability of any cure, study gained motivation identify some repurposed drugs against virus. A quick and accurate method screening licensed medications for finding a treatment HTLV-1 cheminformatics drug repurposing in order analyze dataset FDA approved integrase antivirals infection. To determine how antiviral interacted with important residues active regions,...

T-lymphoblastic leukaemia accounts for approximately one-fourth of acute lymphoblastic cases. Sequencing approaches have identified >100 genes that can be mutated in T-cell (T-ALL). However, the revised WHO 2022 edition lymphoid neoplasms still does not incorporate molecular signatures into T-ALL subgrouping unlike B-ALLs and myeloid leukemia, which are classified mainly based on landscapes. This retrospective observational study included all newly diagnosed patients age groups who presented...

A hit compound was designed using Fragment Based Drug Designing (FBDD) approach, density functional theory (DFT) calculations were performed to find the structural and electronic properties. Additionally, pharmacokinetic properties studied understand biological response of compound. Docking studies carried out with protein structure VrTMPK HssTMPK reported The favored docked complex further perform MD simulations; RMSD plot H-bond analysis done for 200 ns. Also, MM-PBSA binding energy...