Exploring heterocyclic scaffolds in carbonic anhydrase inhibition: a decade of structural and therapeutic insights.

Heterocyclic compounds represent a prominent class of molecules with diverse pharmacological activities. Among their therapeutic applications, they have gained significant attention as carbonic anhydrase (CA) inhibitors, owing to their potential in the treatment of various diseases such as epilepsy, cancer and glaucoma. CA is a widely distributed zinc metalloenzyme that facilitates the reversible interconversion of carbon dioxide and bicarbonate.

A field-portable electrochemical immunosensor based on a multifunctional AgO/g-CN@MA-DBB covalent organic framework receptor interface for single-step detection of aflatoxin M in raw milk samples.

Aflatoxin M (AFM), a hydroxylated metabolite of aflatoxin B (AFB), contaminates milk and dairy products from livestock ingestion of feed contaminated with a species of . As AFM is a Group-II B carcinogen, it is indispensable to develop novel, easy-to-handle, sensitive, portable and cost-effective strategies for its detection. Herein, a covalent organic framework (COF)-based electroactive nanocomposite, AgO/g-CN-COOH@MA-DBB-COF (silver oxide/carboxy-functionalized graphitic carbon nitride@melamine-dibromo butane COF), is designed to serve as a multifunctional receptor surface.

Sudachitin Alleviates Paraquat Instigated Testicular Toxicity in Albino Rats via Regulating Nrf-2/Keap-1, Inflammatory, Steroidogenic, and Histological Profile.

Paraquat (PQ) is a noxious herbicide which adversely affects the vital organs including male reproductive system. Sudachitin (SCN) is a naturally occurring flavonoid that demonstrates a wide range of biological potentials. The current study was designed to investigate the alleviative potential of SCN to avert PQ-induced testicular toxicity in rats.

Elucidating bis-pyrimidines as new and efficient mushroom tyrosinase inhibitors: synthesis, SAR, kinetics and computational studies.

In this study, a series of novel bis-pyrimidine derivatives (1P-8P) were designed, synthesized, characterized, and investigated for their inhibitory activity against mushroom tyrosinase, an enzyme critical in melanin biosynthesis and implicated in various hyperpigmentation disorders. To the best of our knowledge, the bispyrimidine scaffold has been evaluated for the first time for its tyrosinase inhibitory activity. Their inhibitory activities were assessed, revealing inhibition with IC values in the micromolar range.

Recent developments in the synthesis and applications of terpyridine-based metal complexes: a systematic review.

Terpyridine-based metal complexes have emerged as versatile and indispensable building blocks in the realm of modern chemistry, offering a plethora of applications spanning from materials science to catalysis and beyond. This comprehensive review article delves into the multifaceted world of terpyridine complexes, presenting an overview of their synthesis, structural diversity, and coordination chemistry principles. Focusing on their diverse functionalities, we explore their pivotal roles in catalysis, supramolecular chemistry, luminescent materials, and nanoscience.

Enhancing performance in the presence of outliers with redescending M-estimators.

In real-life situations, we have to analyze the data that contains the atypical observations, and the presence of outliers has adverse effects on the performance of ordinary least square estimates. In this situation, redescedning M-estimators, proposed by Huber (1964), are used to tackle the effects of outliers to increase the efficiency of least square estimates. In this study, we introduce a redescending M-estimator designed to generate robust estimates by mitigating the influence of outlier observations, even when the tuning constant is set to low values.

Exploring fluorine-substituted piperidines as potential therapeutics for diabetes mellitus and Alzheimer's diseases.

In the current study, a series of fluorine-substituted piperidine derivatives (1-8) has been synthesized and characterized by various spectroscopic techniques. In vitro and in vivo enzyme inhibitory studies were conducted to elucidate the efficacy of these compounds, shedding light on their potential therapeutic applications. To the best of our knowledge, for the first time, these heterocyclic structures have been investigated against α-glucosidase and cholinesterase enzymes.

Enhancing the trustworthiness of chaos and synchronization of chaotic satellite model: a practice of discrete fractional-order approaches.

Accurate development of satellite maneuvers necessitates a broad orbital dynamical system and efficient nonlinear control techniques. For achieving the intended formation, a framework of a discrete fractional difference satellite model is constructed by the use of commensurate and non-commensurate orders for the control and synchronization of fractional-order chaotic satellite system. The efficacy of the suggested framework is evaluated employing a numerical simulation of the concerning dynamic systems of motion while taking into account multiple considerations such as Lyapunov exponent research, phase images and bifurcation schematics.

Synthesis, molecular docking evaluation for LOX and COX-2 inhibition and determination of in-vivo analgesic potentials of aurone derivatives.

In the current study, seven (7) aurone derivatives (ADs) were synthesized and employed to LOX and COX-2 assays, models of acetic acid-induced mice writhing, formalin-induced mice paw licking and tail immersion test to evaluate their analgesic potential at the doses of 10 mg and 20 mg/kg body weight. Molecular docking was performed to know the active binding site at both LOX and COX-2 as compared to standard drugs. Among the ADs, 2-(3,4-dimethoxybenzylidene)benzofuran-3(2)-one ()possessed optimal LOX and COX-2 inhibitory strength (= and ) as compared to standard (Zileuton = 0.

Covalent organic frameworks (COFs) as carrier for improved drug delivery and biosensing applications.

Porous organic frameworks (POFs) represent a significant subclass of nanoporous materials in the field of materials science, offering exceptional characteristics for advanced applications. Covalent organic frameworks (COFs), as a novel and intriguing type of porous material, have garnered considerable attention due to their unique design capabilities, diverse nature, and wide-ranging applications. The unique structural features of COFs, such as high surface area, tuneable pore size, and chemical stability, render them highly attractive for various applications, including targeted and controlled drug release, as well as improving the sensitivity and selectivity of electrochemical biosensors.

Ameliorative potential of eriocitrin against cadmium instigated hepatotoxicity in rats via regulating Nrf2/keap1 pathway.

Background: Cadmium (Cd) is a hazardous heavy metal that adversely affects the vital body organs particularly liver. Eriocitrin (ERCN) is a plant-based flavonoid that is well-known for its wide range of pharmacological potential. This research trial was aimed to determine the ameliorative potential of ERCN against Cd provoked hepatotoxicity in rats.

Exploring Pyrimidine-Based azo Dyes: Vibrational spectroscopic Assignments, TD-DFT Investigation, chemical Reactivity, HOMO-LUMO, ELF, LOL and NCI-RDG analysis.

Theoretical computations of pyrimidine-based azo dyes were performed by the DFT approach using the B3LYP/6 - 31G(d,p) basis set. The molecules were optimized based on the same basis set by calculating the minimum energy. FMOs, DOS and GCRD were computed for kinetic stability and chemical reactivity of the selected compounds.

Spectroscopic investigation of phase transformation of calcium oxalate dehydrates (renal calculi) using acidic Bryophyllum pinnatom powder.

Urolithiasis is one of most common renal disorders, characterized by the formation of kidney stones (renal calculi) through the crystallization process within the urinary system. The frequently observed renal calculi are calcium oxalate renal calculi and treatment is done by shock wave method or lithotripsy which is harmful for other cells of the internal system. The objective of this work was to evaluate in vitro diagnosis of calcium oxalate kidney stones in the aqueous solution of Bryophyllum pinnatum.

GC-MS Analysis of Persicaria bistorta: Uncovering the Molecular Basis of Its Traditional Medicinal Use.

Persicaria bistorta is a perennial herb used traditionally in treating various ailments, including diarrhea, abdominal pain, and bleeding. In this study, we used gas chromatography-mass spectrometry (GC-MS) analysis to identify the chemical composition of Persicaria bistorta. The GC-MS analysis revealed the presence of several compounds, including flavonoids, tannins, saponins, and alkaloids.

Current status of -, -, -heterocycles as potential alkaline phosphatase inhibitors: a medicinal chemistry overview.

Heterocycles are a class of compounds that have been found to be potent inhibitors of alkaline phosphatase (AP), an enzyme that plays a critical role in various physiological processes such as bone metabolism, cell growth and differentiation, and has been linked to several diseases such as cancer and osteoporosis. AP is a widely distributed enzyme, and its inhibition has been considered as a therapeutic strategy for the treatment of these diseases. Heterocyclic compounds have been found to inhibit AP by binding to the active site of the enzyme, thereby inhibiting its activity.

Evaluation of 2,3-Dihydro-1,5-benzothiazepine Derivatives as Potential Tyrosinase Inhibitors: and Studies.

Benzothiazepines are pharmacologically active compounds, frequently utilized as a precursor for acquiring versatile molecules with several bioactivities including anti-inflammatory, anti-human immunodeficiency virus (anti-HIV), analgesic, antitumor, antimicrobial, and antitubercular. In this study, the 2,4-diphenyl-2,3-dihydro-1,5-benzothiazepine scaffold was selected for their , docking, and druglikeness studies to evaluate their inhibitory potential against mushroom tyrosinase. All synthesized analogues, -, exhibited moderate to good IC values ranging from 1.

Design and synthesis of 2-amino-4,6-diarylpyrimidine derivatives as potent α-glucosidase and α-amylase inhibitors: structure-activity relationship, , QSAR, molecular docking, MD simulations and drug-likeness studies.

In the present study, a series of 2-amino-4,6-diarylpyrimidine derivatives was designed, synthesized, characterized and evaluated for their α-glucosidase and α-amylase enzyme inhibition assays. The outcomes proved that this class of compounds exhibit considerable inhibitory activity against both enzymes. Among the target compounds, compounds and demonstrated the most potent dual inhibition with IC = 0.

Exploring novel fluorine-rich fuberidazole derivatives as hypoxic cancer inhibitors: Design, synthesis, pharmacokinetics, molecular docking, and DFT evaluations.

Sixteen fuberidazole derivatives as potential new anticancer bioreductive prodrugs were prepared and characterized. The in vitro anticancer potential was examined to explore their cytotoxic properties by employing apoptosis, DNA damage, and proliferation tests on chosen hypoxic cancer cells. Eight substances (Compound 5a, 5c, 5d, 5e, 5g, 5h, 5i, and 5m) showed promising cytotoxicity values compared to the standard control.

Synergistic impact of two autochthonous saprobic fungi ( and ) on the growth, ionic contents, and metals uptake in L. and L. under tannery solid waste contaminated soil.

Unrestricted disposal of tannery solid waste (TSW) into agricultural soils has resulted in the contamination of heavy metals (HMs) such as chromium (Cr) cadmium (Cd), Copper (Cu), and Zinc (Zn) along with the severe potential to degrade the environmental quality around the world. In the present study, a combined phyto- and myco-remediation strategy was evaluated to enhance the growth, ionic contents, and phytoextraction potential of and for HMs from TSW-contaminated soil. A pot experiment was conducted in the greenhouse using single or combined inoculation of (Tp) and (An) in and under TSW-contaminated soil at different doses (0, 50, and 100%).

Analysis of phase stability, elastic, electronic, thermal, and optical properties of ScYN via ab initio methods.

Understanding the physical properties of a material is crucial to know its applicability for practical applications. In this study, we investigate the phase stability, elastic, electronic, thermal, and optical properties of the ternary alloying of the scandium and yttrium nitrides (ScYN) for different compositions. To do so, we apply a "density functional theory (DFT)" based scheme of calculations named as "full potential (FP) linearized (L) augmented plane wave plus local orbitals (APW + lo) method" realized in the WIEN2k computational package.

Comparison of pennywort and hyacinth in the development of membraned sediment plant microbial fuel cell for waste treatment.

Membraned Sediment Plant Microbial Fuel cells (SPMFCs) are appealing bioelectrochemical systems that generate power from organic compounds in sediment through exoelectrogen decomposition and are used to treat wastewater. This research was designed to develop a single-chambered sediment plant microbial fuel cell using two membrane electrodes; one carbon plate cathode and one anode. Wastewater and sediment mixture was sampled from Rawalpindi, Pakistan, and bacterial isolation was performed by serial dilution.

Automatic negative thoughts as contributing factors to adults with conversion disorder.

Objective: To see if automatic negative thoughts contributed to conversion disorder in adults.

Methods: The case-control study was conducted in Lahore and Faisalabad, Pakistan, from February 2017 to September 2019, and comprised adult patients of either gender diagnosed with conversion disorder at hospitals and private clinics in the two cities. Healthy adults without conversion disorder were recruited from the same cities.