Novel Quinoline Nitrate Derivatives: Synthesis, Characterization, and Evaluation of their Anticancer Activity with a Focus on Molecular Docking and NO Release.

Background: Nitric Oxide (NO) has recently gained recognition as a promising approach in the field of cancer therapy. The quinoline scaffold is pivotal in cancer drug research and is known for its versatility and diverse mechanisms of action.

Objective: This study presents the synthesis, characterization, and evaluation of novel quinoline nitrate derivatives as potential anticancer agents.

Functional implications and therapeutic targeting of androgen response elements in prostate cancer.

The androgen receptor (AR) plays an essential role in the growth and progression of prostate cancer (CaP). Ligand-activated AR inside the nucleus binds to the androgen response element (ARE) of the target genes in dimeric form and recruits transcriptional machinery to facilitate gene transcription. Pharmacological compounds that inhibit the AR action either bind to the ligand binding domain (LBD) or interfere with the interactions of AR with other co-regulatory proteins, slowing the progression of the disease.

Late-Stage Modification of Oligopeptides by Nickel-Catalyzed Stereoselective Radical Addition to Dehydroalanine.

Radical addition to dehydroalanine (Dha) represents an appealing, modular strategy to access non-canonical peptide analogues for drug discovery. Prior studies on radical addition to the Dha residue of peptides and proteins have demonstrated outstanding functional group compatibility, but the lack of stereoselectivity has limited the synthetic utility of this approach. Herein, we address this challenge by employing chiral nickel catalysts to control the stereoselectivity of radical addition to Dha on oligopeptides.

One-Pot Synthesis of Novel Hydrazono-1,3-Thıazolıdın-4-One Derivatives as Anti-HIV and Anti-Tubercular Agents: Synthesıs, Bıologıcal Evaluatıon, Molecular Modelling and Admet Studıes.

Background: The necessity for newer anti-HIV and anti-tubercular medications has arisen as a result of the prevalence of opportunistic infections caused by HIV (human immunodeficiency virus).

Objective: A series of ten new hydrazono 1,3-thiazolidin-4-one derivatives were synthesized in one-pot and evaluated for anti-HIV and anti-tubercular activities. Molecular Docking was accomplished with HIV-1 reverse transcriptase protein (PDB ID: 1REV) and Mycobacterium Tuberculosis (M.

Two-Component Redox Organocatalyst for Peptide Bond Formation.

Peptides are fundamental therapeutic modalities whose sequence-specific synthesis can be automated. Yet, modern peptide synthesis remains atom uneconomical and requires an excess of coupling agents and protected amino acids for efficient amide bond formation. We recently described the rational design of an organocatalyst that can operate on Fmoc amino acids─the standard monomers in automated peptide synthesis ( , 141, 15977).

Peptide Tethering: Pocket-Directed Fragment Screening for Peptidomimetic Inhibitor Discovery.

Constrained peptides have proven to be a rich source of ligands for protein surfaces, but are often limited in their binding potency. Deployment of nonnatural side chains that access unoccupied crevices on the receptor surface offers a potential avenue to enhance binding affinity. We recently described a computational approach to create topographic maps of protein surfaces to guide the design of nonnatural side chains [ , , 15560].

Synthesis of Novel Aryl (4-Aryl-1H-Pyrrol-3-yl) (Thiophen-2-yl) Methanone Derivatives: Molecular Modelling, In Silico ADMET, Anti-Inflammatory and Anti-Ulcer Activities.

Background: Due to the presence of both five-membered heterocyclics like pyrrole and thiophene in one molecule considerable attention was made for their enormous pharmacological activities out of which include anti-inflammatory and anti-ulcer activities.

Objective: Chalcones with toluenesulfonylmethyl isocyanide (TosMIC) undergo synthesis to form some new aryl (4-aryl-1H-pyrrol-3-yl) (thiophen-2-yl) methanone derivatives. Molecular docking of synthesized compounds with protein receptors of anti-inflammatory COX-1(3N8Y), COX-2 (1PXX) along with anti-ulcer H+/K+ATPase enzyme (2XZB) followed with drug-likeness, and in silico ADMET properties.

Amphiphilic Small-Molecule Assemblies to Enhance the Solubility and Stability of Hydrophobic Drugs.

Amphiphilic assemblies made from diverse synthetic building blocks are well known for their biomedical applications. Here, we report the synthesis of gemini-type amphiphilic molecules that form stable assemblies in water. The assembly property of molecule M2 in aqueous solutions was first inferred from peak broadening observed in the proton NMR spectrum.

Spatial structure, parameter nonlinearity, and intelligent algorithms in constructing pedotransfer functions from large-scale soil legacy data.

Pedotransfer function (PTF) approach is a convenient way for estimating difficult-to-measure soil properties from basic soil data. Typically, PTFs are developed using a large number of samples collected from small (regional) areas for training and testing a predictive model. National soil legacy databases offer an opportunity to provide soil data for developing PTFs although legacy data are sparsely distributed covering large areas.

Rational Design of an Organocatalyst for Peptide Bond Formation.

Amide bonds are ubiquitous in peptides, proteins, pharmaceuticals, and polymers. The formation of amide bonds is a straightforward process: amide bonds can be synthesized with relative ease because of the availability of efficient coupling agents. However, there is a substantive need for methods that do not require excess reagents.

Cyanide Toxicity!! Colour of Blood Says It All.

Unlabelled: Cyanide toxicity is a fatal condition if not detected and treated in stipulated time. Lack of rapid detection modalities, and nonspecific nature of clinical presentation make the diagnosis more challenging. Cherry red colour of blood might be the only clue sometimes.

Effects of water deficit stress on agronomic and physiological responses of rice and greenhouse gas emission from rice soil under elevated atmospheric CO.

Rice is the foremost staple food in the world, safeguarding the global food and nutritional security. Rise in atmospheric carbon dioxide (CO) and water deficits are threatening global rice productivity and sustainability. Under real field conditions these climatic factors often interact with each other resulting in impacts that are remarkably different compared to individual factor exposure.

Intramolecular cascade rearrangements of enynamine derived ketenimines: access to acyclic and cyclic amidines.

Copper-catalyzed reaction of enynamines with sulfonylazides provides acyclic and cyclic amidines. Nucleophilic addition of the tethered amino group on the in situ generated ketenimine forms a six-membered cyclic zwitterionic intermediate which facilitates migration of the tethered amino group to the C-center giving the acyclic amidine. On the other hand, migration of a substituent on the amino group to C- and C-centers results in the formation of cyclic amidines.

Isolated Coronal Fracture of Trapezium- A Case Report with Review of Literature.

Introduction: Isolated trapezium fractures accounts for 3-5% of all carpal fractures, are often missed on initial presentation. Trapezial fractures should be treated early given its importance in grip and pinch. We report a rare isolated coronal fracture of trapezium, following fall on an outstretched hand.

Performance, Emission, Energy, and Exergy Analysis of a C.I. Engine Using Mahua Biodiesel Blends with Diesel.

This paper presents an experimental investigation on a four-stroke single cylinder diesel engine fuelled with the blends of Mahua oil methyl ester (MOME) and diesel. The performance emission, energy, and exergy analysis has been carried out in B20 (mixture of 80% diesel by volume with 20% MOME). From energy analysis, it was observed that the fuel energy input as well as energy carried away by exhaust gases was 6.

Congenital central hypoventilation syndrome with PHOX2B gene mutation.

A term baby developed hypoventilation on day 1 of life requiring mechanical ventilation and had subsequent difficulty in weaning. Diagnostic workup for pulmonary, cardiac, metabolic, sepsis and structural CNS diseases were negative. In view of persistent hypoventilation despite raised pCO(2) levels in absence of any sedation, the diagnosis of Idiopathic.

Aorta-right atrial tunnel.

Aorta-right atrial tunnel is a vascular channel that originates from one of the sinuses of Valsalva and terminates in either the superior vena cava or the right atrium. The tunnel is classified as anterior or posterior, depending upon its course in relation to the ascending aorta. An origin above the sinotubular ridge differentiates the tunnel from an aneurysm of the sinus of Valsalva, and the absence of myocardial branches differentiates it from a coronary-cameral fistula.

Phase I trial of vertebral intracavitary cement and samarium (VICS): novel technique for treatment of painful vertebral metastasis.

Purpose: Kyphoplasty is an effective procedure to alleviate pain in vertebral metastases. However, it has no proven anticancer activity. Samarium-153-ethylene diamine tetramethylene phosphonate ((153)Sm-EDTMP) is used for palliative treatment of bone metastases.

Tetralogy of Fallot with rheumatic mitral stenosis: a case report.

Introduction: Rheumatic and congenital heart diseases account for the majority of hospital admissions for cardiac patients in India. Tetralogy of Fallot is the most common congenital heart disease with survival to adulthood. Infective endocarditis accounts for 4% of admissions to a specialized unit for adult patients with a congenital heart lesion.

Submitral aneurysm with left atrial communication.

Annular sub-mitral aneurysms are rare lesions of varied etiology. A sub-mitral membranous curtain may be a potential area of weakness through which these lesions expand. Initially described in young males of African origin and reported from varying geographical areas, these lesions arise from the atrioventricular groove in close relation to the mural leaflet.

Concurrent coronary, bilateral iliac and left renal artery direct stenting.

We describe a patient who underwent percutaneous coronary intervention combined with bilateral iliac and left renal artery angioplasty during the same sitting. Stenting of the coronary and peripheral arteries was performed employing the "direct stenting" technique. No complications occurred.