Molecular dynamics simulations revealed structural differences among TTHA1873-DNA interaction.

This study aims to investigate the comparative binding pattern of TTHA1873 and its mutants (R55A and R138A) with DNA through molecular docking and molecular dynamics (MD) simulations. The docking results suggests that the Wild type (WT-TTHA1873), R55A, R138A and double mutant R55A/R138A having docking scores of -225.80 kcal/mol, -209.

Functional characterization of a hypothetical protein (TTHA1873) from Thermus thermophilus.

Thermus thermophilus is an extremely thermophilic organism that thrives at a temperature of 65°C. T. thermophilus genome has ~2218 genes, out of which 66% (1482 genes) have been annotated, and the remaining 34% (736 genes) are assigned as hypothetical proteins.

Evaluation of Bioactive Compounds of Targeting the Efflux Protein of Multidrug-Resistant (LAC-4 Strain).

() is one of the major representative aetiologies of recalcitrant nosocomial infections. Genotypic and phenotypic alterations in have resulted in a significant surge in multidrug resistance (MDR). Of all the factors responsible for the development of antimicrobial resistance (AMR), efflux protein pumps play a paramount role.

Rare case of norethisterone-induced hepatitis: A case report.

We report a case of probable norethisterone-related liver injury, manifesting as a significant rise in liver transaminases in a 62-year-old woman. Upon discontinuation of norethisterone, liver transaminases decreased to normal level within two weeks. Knowledge of rare adverse effects of drugs such as norethisterone is necessary for rapid identification and management, especially in patients with risk factors such as non-alcoholic liver disease and obesity.

evaluation of isatin-based derivatives with RNA-dependent RNA polymerase of the novel coronavirus SARS-CoV-2.

Isatin (1H-indole-2,3-dione)-containing compounds have been shown to possess several remarkable biological activities. We had previously explored a few isatin-based imidazole derivatives for their predicted dual activity against both inflammation and cancer. We explored 47 different isatin-based derivatives (IBDs) for other potential biological activities using tools and found them to possess anti-viral activity.

Identification of compounds for improved growth of Leptospira in culture and isolation.

Leptospirosis is a recurring global disease of severe illness involving pulmonary and renal involvement in cattle and humans that needs attention to cure. The major challenge in treating leptospirosis disease is the diagnosis of the disease. The culturing of an organism is a gold standard for confirmation of the disease.

An efficient and cost-effective method for purification of small sized DNAs and RNAs from human urine.

Urine holds great promise as a non-invasive sampling method for molecular diagnostics. The cell-free nucleic acids of urine however are small, labile, and difficult to purify. Here an efficient method for the purification of these nucleic acids is presented.

An eco-friendly catalytic system for multicomponent, one-pot synthesis of novel spiro-chromeno indoline-triones and their anti-prostate cancer potentials evaluated via alkaline phosphatase inhibition mechanism.

A green and efficient straightforward tactic for the one-pot regioselective synthesis of novel 10,10-dimethyl-9,10,11,11a-tetrahydro-6H-spiro[chromeno[4,3-b]chromene-7,3'-indoline]-2',6,8 (7aH) -triones (4a-n) in one-pot modus has been established using eco-friendly p-toluenesulphonic acid as catalyst. Among the solvents that were used for synthesis, 4a-n were suitably synthesized with maximum yield (90-98%) in water. We avoided column purification and the formed by-product in the process is environmental-friendly.

Nanoparticulated polymeric composites enfolding lithium carbonate as brain drug in persuading depression: an in vivo study.

Lithium carbonate is considered an effective drug against mania and acts as a mood stabilizer. It is found that it enhances antidepressants targeting depression, consequently it is prone to have risk factors that leads to adverse effects. The study is devised in confronting depression under nanoscale by preparing nanocomposites which is a matrix of biopolymer chitosan that encapsulates lithium carbonate by ionic gelation method.

Bioactive M(II) complexes of amino acid-based NO donor mixed ligand: in vitro and in silico DNA binding studies.

Three novel mixed ligand M(II) complexes, namely [CoLLCl] (), [CuLLCl] (), and [ZnLLCl] (), were synthesized using 1,4-naphthoquinone, L-histidine, and 1,10-phenanthroline as ligands. The ligand framework and the corresponding structural changes on complexation were ascertained based on the results of elemental analysis, conductivity measurements, magnetic behavior, FT-IR, UV-visible, H NMR, C NMR, ESR spectral studies, and ESI mass spectrometry. The biological action of the ligand () and complexes - such as DNA binding and cleaving ability were studied.

Synthesis and multi-spectroscopic study on DNA-binding, cleavage and biological properties of M(II) complexes based on N O donor Schiff base ligand.

A novel Schiff base, (S,Z)-4-(methylthio)-2-((3-oxo-2,3-dihydro-1H-inden-1-ylidene)amino)butanoic acid (L) and four M(II) complexes (where M = Co, Cu, Ni and Zn) were synthesized and characterized. The DNA-binding characteristics of the complexes were investigated using various spectroscopic methods and viscosity measurements. Analysis of the results suggests that all the complexes bind to calf thymus DNA via intercalation.

Novel Bioactive Co(II), Cu(II), Ni(II) and Zn(II) Complexes with Schiff Base Ligand Derived from Histidine and 1,3-Indandione: Synthesis, Structural Elucidation, Biological Investigation and Docking Analysis.

Novel bioactive complexes of Co(II), Cu(II), Ni(II) and Zn(II) metal ions with Schiff base ligand derived from histidine and 1,3-indandione were synthesized and thoroughly characterized by various analytical and spectral techniques. The biological investigations were carried out to examine the efficiency of the binding interaction of all the complexes with calf thymus DNA (CT-DNA). The binding properties were studied and evaluated quantitatively by K and K values using UV-visible, fluorescence spectroscopy and voltammetric techniques.

Influence of Amino Acid-Nucleobase Hybrid Ligand in Binding and Biological Activity of Co(II) and Zn(II) Complexes.

Synthesis of new metallic complex of cobalt and zinc with amino acid-nucleobase hybrid ligand have been achieved by simple chemical reaction of metal salt with amino acid L-histidine and nucleobase adenine as ligands. Various physicochemical techniques such as elemental analysis, conductometric measurements, FT-IR, UV-visible, (1)H & (13)C NMR, mass spectroscopy and magnetic measurements were employed to characterize the complexes. The results confirmed the formation of the ligand and the complex.

The N-terminus and alpha-5, alpha-6 helices of the pro-apoptotic protein Bax, modulate functional interactions with the anti-apoptotic protein Bcl-xL.

Background: Bcl-2 family proteins are key regulators of mitochondrial integrity and comprise both pro- and anti-apoptotic proteins. Bax a pro-apoptotic member localizes as monomers in the cytosol of healthy cells and accumulates as oligomers in mitochondria of apoptotic cells. The Bcl-2 homology-3 (BH3) domain regulates interactions within the family, but regions other than BH3 are also critical for Bax function.