Combating planktonic and biofilm growth of Serratia marcescens by repurposing ebselen.

Aim Of The Study: The rising instances of multidrug-resistant pathogens are rapidly evolving into a global healthcare crisis. Identifying new ways of synthesis of antibiotics is both time-consuming and expensive. Repurposing existing drugs for the treatment of such antimicrobial-resistant pathogens has also been explored.

Tryptone-stabilized silver nanoparticles' potential to mitigate planktonic and biofilm growth forms of Serratia marcescens.

Several microbial pathogens are capable of forming biofilms. These microbial communities pose a serious challenge to the healthcare sector as they are quite difficult to combat. Given the challenges associated with the antibiotic-based management of biofilms, the research focus has now been shifted towards finding alternate treatment strategies that can replace or complement the antibacterial properties of antibiotics.

Disorder in the Human Skp1 Structure is the Key to its Adaptability to Bind Many Different Proteins in the SCF Complex Assembly.

Skp1(S-phase kinase-associated protein 1 - Homo sapiens) is an adapter protein of the SCF(Skp1-Cullin1-Fbox) complex, which links the constant components (Cul1-RBX) and the variable receptor (F-box proteins) in Ubiquitin E3 ligase. It is intriguing how Skp1 can recognise and bind to a variety of structurally different F-box proteins. For practical reasons, previous efforts have used truncated Skp1, and thus it has not been possible to track the crucial aspects of the substrate recognition process.

PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications.

Computational methods and recently modern machine learning methods have played a key role in structure-based drug design. Though several benchmarking datasets are available for machine learning applications in virtual screening, accurate prediction of binding affinity for a protein-ligand complex remains a major challenge. New datasets that allow for the development of models for predicting binding affinities better than the state-of-the-art scoring functions are important.

Ultrafast Dynamics of Photoinduced Electron Transfer in Bay-Aryl-Substituted Perylene Diimide Derivatives.

Blends of donors and acceptors have been widely used in bulk-heterojunction solar cells to have exciton formation and charge separation by photoinduced electron transfer (PET). In this work, we have synthesized perylene diimide (PDI)-based materials having different aryl substituents at the bay positions (, , and ) to understand the excited-state dynamics of electron transfer. The detailed photophysics was studied using steady-state as well as ultrafast dynamics of the excited states in different solvents.

In silico insight of cell-death-related proteins in photosynthetic cyanobacteria.

Cyanobacteria are a large group of ubiquitously found photosynthetic prokaryotes that are constantly exposed to different kinds of stressors of varying intensities and seem to overcome these in a precise and regulated manner. However, a high dose and duration of given stress induce cell death in a few select cyanobacteria, mainly to protect other cells (altruism). Despite the recent findings for the presence of biochemical and molecular hallmarks of cell death in cyanobacteria, it is yet a sketchily understood phenomenon.

In vitro characterization and molecular dynamic simulation of shikonin as a tubulin-targeted anticancer agent.

Shikonin (SK), a naphthoquinone compound from the purple gromwell, Lithospermum erythrorhizon, possesses a considerable antiproliferative potential. By using a combination of biophysical techniques, cellular assays, immunofluorescence imaging, and molecular dynamic simulation, we identified a possible mechanism of action of SK. SK inhibited the viability of the triple negative breast cancer cells MDA-MB-231 (IC of 1 ± 0.

Mechanistic insights into encapsulation and release of drugs in colloidal niosomal systems: biophysical aspects.

Vesicular systems such as niosomes provide an alternative to improve drug delivery systems. The efficiency of a drug delivery vehicle is strongly dependent on its components which decide its interaction with partitioned drug(s) and locus of site of partitioning. A quantitative understanding of the physical chemistry underlying partitioning of drugs in complex systems of self-assemblies such as niosomes is scarcely available.

Proteomic and metabolomic profiling combined with studies reveal the antiproliferative mechanism of silver nanoparticles in MDA-MB-231 breast carcinoma cells.

Silver nanoparticles, shaped and stabilized by various means, are known to alter biological systems and promote cytotoxicity. However, the precise mechanism by which they induce toxic outcomes in cancer cells is poorly understood. Using a combination of cellular and biophysical assays and proteomic and metabolomic analyses, we report the cytotoxic mechanism of action of tryptone-stabilized silver nanoparticles (T-AgNPs).

Mahalanobis distance correlation: A novel approach for quantitating changes in multidimensional NMR spectra in biological applications.

We present here a novel protocol for quantitating changes in the NMR spectra, which is based on Mahalanobis statistics. In a two dimensional NMR spectrum, the various peaks are taken to represent a distribution, and the two chemical shifts along the orthogonal axes and the peak intensities constitute three observables. All these observables vary in a correlated manner.

Identifying type of sugar adulterants in honey: Combined application of NMR spectroscopy and supervised machine learning classification.

Nuclear magnetic resonance (NMR) is a powerful analytical tool which can be used for authenticating honey, at chemical constituent levels by enabling identification and quantification of the spectral patterns. However, it is still challenging, as it may be a person-centric analysis or a time-consuming process to analyze many honey samples in a limited time. Hence, automating the NMR spectral analysis of honey with the supervised machine learning models accelerates the analysis process and especially food chemistry researcher or food industry with non-NMR experts would benefit immensely from such advancements.

Molecular insights into the jasmonate signaling and associated defense responses against wilt caused by Fusarium oxysporum.

Biotic and abiotic stress factors drastically limit plant growth and development as well as alter the physiological, biochemical and cellular processes. This negatively impacts plant productivity, ultimately leading to agricultural and economical loss. Plant defense mechanisms elicited in response to these stressors are crucially regulated by the intricate crosstalk between defense hormones such as jasmonic acid (JA), salicylic acid and ethylene.

Genome-wide in silico characterization and stress induced expression analysis of BcL-2 associated athanogene (BAG) family in Musa spp.

Programmed cell death (PCD) is a genetically controlled process for the selective removal of damaged cells. Though understanding about plant PCD has improved over years, the mechanisms are yet to be fully deciphered. Among the several molecular players of PCD in plants, B cell lymphoma 2 (Bcl-2)-associated athanogene (BAG) family of co-chaperones are evolutionary conserved and regulate cell death, growth and development.

Targeting disorders in unstructured and structured proteins in various diseases.

Intrinsically disordered proteins (IDPs) and intrinsically disordered protein regions (IDPRs) are proteins and protein segments that usually do not acquire well-defined folded structures even under physiological conditions. They are abundantly present and challenge the "one sequence-one structure-one function" theory due to a lack of stable secondary and/or tertiary structure. Due to conformational flexibility, IDPs/IDPRs can bind with multiple interacting partners with high-specificity and low-affinity and perform essential biological functions associated with signalling, recognition and regulation.

Replica exchange molecular dynamics simulations reveal self-association sites in M-crystallin caused by mutations provide insights of cataract.

Crystallins are ubiquitous, however, prevalence is seen in eye lens. Eye lens crystallins are long-lived and structural intactness is required for maintaining lens transparency and protein solubility. Mutations in crystallins often lead to cataract.

Di--butyltin(IV) 2-pyridyl and 4,6-dimethyl-2-pyrimidyl thiolates: versatile single source precursors for the preparation of SnS nanoplatelets as anode material for lithium ion batteries.

New air and moisture stable di--butyltin complexes derived from 2-mercaptopyridine (HSpy), [BuSn(Spy)], [BuSn(Cl)(Spy)] and 4,6-dimethyl-2-mercaptopyrimidine (HSpymMe) [BuSn(Cl)(SpymMe)], have been prepared and utilized as single-source molecular precursors for the preparation of orthorhombic SnS nanoplatelets by a hot injection method and thin films by aerosol assisted chemical vapour deposition (AACVD). The complexes were characterized by NMR (H, C, Sn) and elemental analysis and their structures were unambiguously established by the single crystal X-ray diffraction technique. Thermolysis of these complexes in oleylamine (OAm) produced SnS nanoplatelets.

Curcumin, a potential initiator of apoptosis via direct interactions with Bcl-xL and Bid.

Apoptosis is a naturally occurring process during the growth and development of multicellular organisms and is increasingly active during times of cellular stress such as in response to intracellular DNA damage when removal of the host cell is paramount to prevent cancer. Unfortunately, once formed, cancer cells become impervious to apoptosis, creating a desperate need to identify an approach to induce apoptosis in these cells. An attractive option is to focus efforts on developing and locating compounds which activate apoptosis using natural compounds.

Algal polysaccharide's potential to combat respiratory infections caused by Klebsiella pneumoniae and Serratia marcescens biofilms.

The growth of respiratory diseases, as witnessed through the SARS and COVID-19 outbreaks, and antimicrobial-resistance together pose a serious threat to humanity. One reason for antimicrobial resistance is formation of bacterial biofilms. In this study the sulphated polysaccharides from green algae Chlamydomonas reinhardtii (Cr-SPs) is tested for its antibacterial and antibiofilm potential against Klebsiella pneumoniae and Serratia marcescens.

3,3'-Diselenodipropionic acid (DSePA) induces reductive stress in A549 cells triggering p53-independent apoptosis: A novel mechanism for diselenides.

The aim of present study was to investigate the anticancer mechanisms of 3,3'-diselenodipropionic acid (DSePA), a redox-active organodiselenide in human lung cancer cells. DSePA elicited a significant concentration and time-dependent cytotoxicity in human lung cancer cell line A549 than in normal WI38 cells. The cytotoxic effect of DSePA was preceded by an acute decrease in the level of basal reactive oxygen species (ROS) and a concurrent increase in levels of reducing equivalents (like GSH/GSSG and NADH/NAD) within cells.

Plant Platforms for Efficient Heterologous Protein Production.

Production of recombinant proteins is primarily established in cultures of mammalian, insect and bacterial cells. Concurrently, concept of using plants to produce high-value pharmaceuticals such as vaccines, antibodies, and dietary proteins have received worldwide attention. Newer technologies for plant transformation such as plastid engineering, agroinfiltration, magnifection, and deconstructed viral vectors have been used to enhance the protein production in plants along with the inherent advantage of speed, scale, and cost of production in plant systems.

Metal removal by metallothionein and an acid phosphatase PhoN, surface-displayed on the cells of the extremophile, Deinococcus radiodurans.

The utility of surface layer proteins (Hpi and SlpA) of the radiation resistant bacterium, Deinococcus radiodurans, was investigated for surface display and bioremediation of cadmium and uranium. The smtA gene, from Synechococcus elongatus (encoding the metal binding metallothionein protein), was cloned and over-expressed in D. radiodurans, either as such or as a chimeric gene fused with hpi ORF (Hpi-SmtA), or fused to the nucleotide sequence encoding the SLH domain of the SlpA protein (SLH-SmtA).

The spontaneous remission of cancer: Current insights and therapeutic significance.

Many diseases heal spontaneously. The common cold, for example, remedies itself within a few days in people with an uncompromised immune system. If a disease with a poor prognosis heals in the absence of a targeted therapeutic, many even call it a miracle cure.

Anionic Polyelectrolyte-Induced Aggregation of Basic Orange 21: A Clue toward Metachromasia.

The change in the color of chromophore upon being embedded in a biological tissue is known as metachromasia. Basic Orange 21 (BO21) is a cationic polymethine dye that has been implied as a supravital dye, which produces metachromasia in leukocytes. An improved differential counting of leukocytes has been achieved in the clinical setup based on characteristic metachromatic expressions of BO21 for different types of leukocytes.