Design, Synthesis, Molecular Docking, ADMET, and Biological Studies of Some Novel 1,2,3-Triazole Linked Tetrazoles as Anticancer Agents.

Background: 1,2,3-Triazole-tetrazoles have received substantial attention because of their unique bioisosteric properties and an extraordinarily broad spectrum of biological activity, making them interesting for the drug design, and synthesis of a delightful class of widely investigated heterocyclic compounds. To address major health concerns, it is consequently important to devote ongoing effort to the identification and development of New Chemical Entities (NCEs) as possible anticancer medicines.

Methods: We began our initial investigation of the reaction between 5-(azidomethyl)-1H-pyrrolo[ 2,3-b]pyridine and 1-phenyl substituted-5-(prop-2-yn-1-ylthio)-1 H-tetrazole under click chemistry to give the corresponding triazole precursors and screened for their cytotoxicity reported by variations in therapeutic actions of the parent molecule.

The , and Gene Expression and Prognosis Hallmark of Prostate Cancer.

Background: Prostate cancer is considered as the second leading cause of cancer related death in men worldwide and the third frequent cancer among Iranian men. Despite the use of PSA as the only biomarker for early diagnosis of prostate cancer, its application in clinical settings is under debate. Therefore, the introduction of new molecular markers for early detection of prostate cancer is needed.

Discovery of potent dual ligands for dopamine D4 and σ1 receptors.

During our work on exploration of molecules with some piperidine-triazole scaffolds, we realized that our compounds display chemical similarity with some σ, as well as dopaminergic receptor ligands. Here we show that this series of molecules has indeed strong affinity both for σ1 and dopamine D4 receptors. Moreover, they appear selective towards σ2, dopamine paralogues D1, D2, D3 and D5 receptors and hERG channel.

Analytical tuning rules for second-order reduced ADRC with SOPDT models.

This paper presents a set of tuning rules for second-order reduced linear active disturbance rejection control for second-Order Plus-Dead-time (SOPDT) models. Rules are developed with a target to achieve a good compromise between tracking and disturbance rejection performances. Subsequently, it is formulated as a multi-objective optimization problem consisting of Integral Absolute tracking and regulatory errors as its objectives with a specified robustness level and a stability condition as constraints.

Journey of anthraquinones as anticancer agents - a systematic review of recent literature.

Anthraquinones are privileged chemical scaffolds that have been used for centuries in various therapeutic applications. The anthraquinone moiety forms the core of various anticancer agents. However, the emergence of drug-resistant cancers warrants the development of new anticancer agents.

Carbon dioxide adsorption based on porous materials.

Global warming due to the high concentration of anthropogenic CO in the atmosphere is considered one of the world's leading challenges in the 21 century as it leads to severe consequences such as climate change, extreme weather events, ocean warming, sea-level rise, declining Arctic sea ice, and the acidification of oceans. This encouraged advancing technologies that sequester carbon dioxide from the atmosphere or capture those emitted before entering the carbon cycle. Recently, CO capture, utilizing porous materials was established as a very favorable route, which has drawn extreme interest from scientists and engineers due to their advantages over the absorption approach.

Seasonal and annual variations of CO and CH at Shadnagar, a semi-urban site.

Carbon dioxide (CO) and methane (CH) are the most important greenhouse gases (GHGs) due to their significant role in anthropogenic global climate change. The spatio-temporal variations of their concentration are characterized by the terrestrial biosphere, seasonal weather patterns and anthropogenic emissions. Hence, to understand the variability in regional surface GHG fluxes, high precision GHGs measurements were initiated by the National Remote Sensing Center (NRSC) of India.

DNA-binding, cleavage, antibacterial and anticancer activity of copper(II) mixed ligand complexes of 2-(((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)amino)aceticacid and polypyridyl ligands.

A tridentate ligand(A), 2-(((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)amino) aceticacid (Cl-BIGH) was synthesised by the Phillips condensation of 4-chlorobenzene-1,2-diamine and iminodiaceticacid in 1:2 molar ratio. Its Cu(II) mixed ligand complexes[Cu(II)-A-L] were obtained by involving other co-ligands(L): 2,2΄-bipyridine(L), 4,4΄-dimethyl-2,2΄-bipyridyl(L), 5,5΄-dimethyl-2,2΄-bipyridyl(L) and 1,10 phenanthroline(L). The complexes were characterized by elemental analysis, thermal analysis, molar conductance, magnetic moment measurements, X-ray diffraction, FTIR, UV-Visible, ESR spectroscopy, mass spectrometry and cyclic voltammetry.

Water Mediated One-Pot, Stepwise Green Synthesis, Anti-Inflammatory and Analgesic Activities of (3-Amino-1-Phenyl-1H-Benzo[f]Chromen-2-yl) (1H-Indol-3-yl) Methanone Catalysed by L-Proline.

Aim: The reactions were carried out by one pot three-component synthesis, 3- cyanoacetylindole (1) on reaction with aromatic aldehydes (2) and β-naphthol (3) in an aqueous medium in the presence of L-proline as a catalyst under reflux for 30 min, resulting in (3-amino-1- phenyl-1H-benzo[f]chromen-2-yl) (1H-indol-3-yl)methanone (4). The method has many advantages like short reaction times, good yields, and simple workup procedure, besides being green in nature. Pharmacological evaluation of title compounds was done for anti-inflammatory and analgesic activities.

Green Biosynthesis, Antioxidant, Antibacterial, and Anticancer Activities of Silver Nanoparticles of Leaf Extract.

Studies on green biosynthesis of newly engineered nanoparticles for their prominent medicinal applications are being the torch-bearing concerns of the state-of-the-art research strategies. In this concern, we have engineered the biosynthesized silver nanoparticles of flavonoid -glycosides in the anisotropic form isolated from aqueous leave extracts of , a popular traditional and ayurvedic plant in south-east Asian countries. These were structurally confirmed by Ultraviolet-visible (UV-Vis), Fourier transform infrared spectroscopy accessed with attenuated total reflection (FTIR-ATR) spectral analyses followed by the scanning electron microscopic (SEM) and the X-ray diffraction (XRD) crystallographic studies and found them with the face-centered cubic () structure.

Synthesis and biological studies of new piperidino-1,2,3-triazole hybrids with 3-aryl isoxazole side chains.

A small library of new piperidine-triazole hybrids with 3-aryl isoxazole side chains has been designed and synthesized. Their cytotoxicity against a panel of seven cancer cell lines has been established. For the most promising compound, an IC value of 3.

Synthesis, spectroscopic and biological activity evaluation of Ni(II), Cu(II) and Zn(II) complexes of schiff base derived from pyridoxal and 4-fluorobenzohydrazide.

A novel Schiff base ligand, 4-fluoro-N-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzohydrazide (PLFBH) was synthesized by condensationof pyridoxal and 4-fluorobenzohydrazide. Its complexes with Ni(II), Cu(II), and Zn(II) metal ionswere prepared and characterized by spectroscopic IR, H-NMR, UV, LC-MS, ESR, and powder XRD studies and by elemental analysis and thermal analysis, molar conductance, and magnetic susceptibility measurements. The results indicate the geometry of the complexes to be hexa coordinate distorted octahedral.

Novel heterocyclic 1,3,4-oxadiazole derivatives of fluoroquinolones as a potent antibacterial agent: Synthesis and computational molecular modeling.

Design and synthesis of novel series of 1,3,4-oxadiazoles containing FQs derivatives and screened their antibacterial, antimycobacterial properties. The synthesized compounds were characterized by different spectral techniques like IR, H NMR, C NMR, mass and elemental analysis. The results of the antimicrobial activity and compounds 6d, 6b, 6e, 6f and 6a demonstrated potent antibacterial activities with zone of inhibition of 42, 36, 37, 34 and 30 mm against S.

Structural investigation, DNA interactions and anticancer studies of transition metal complexes of 3-(2-(2, 4-dihydroxy benzylidene) hydrazinyl) quinoxalin-2(1H) -one.

The Schiff base ligand, 3-(2-(2, 4-dihydroxybenzylidene) hydrazinyl) quinoxalin-2(1H)-one (RHQO) has been synthesized and characterized by spectral and single crystal X-ray analysis. The Mn(II), Ni(II) and Cu(II) complexes of RHQO have been synthesized and characterized by FT-IR, UV-VIS, mass, EPR spectra, CHN, thermo gravimetric analysis, magnetic susceptibility and conductivity measurements. The morphology of the ligand and complexes is studied by Scanning Electron Microscopy.

Discovery of DB18, a potent inhibitor of CLK kinases with a high selectivity against DYRK1A kinase.

We describe in this paper the synthesis of a novel series of anilino-2-quinazoline derivatives. These compounds have been screened against a panel of eight mammalian kinases and in parallel they were tested for cytotoxicity on a representative panel of seven cancer cell lines. One of them (DB18) has been found to be a very potent inhibitor of human "CDC2-like kinases" CLK1, CLK2 and CLK4, with IC values in the 10-30 nM range.

Analytical tuning rules for Reduced-order Active Disturbance Rejection Control with FOPDT models through Multi-Objective optimization and multi-criteria decision-making.

Active Disturbance Rejection Control (ADRC) emerged as a promising control solution in various engineering domains. However, increased ADRC order makes it difficult to implement and tune in practice. On the other hand, Reduced-order ADRC (RADRC) structure solves this issue with the appropriate tuning of its parameters to achieve the desired performance.

In-silico driven design and development of spirobenzimidazo-quinazolines as potential DNA gyrase inhibitors.

DNA gyrase and Topoisomerase IV are promising antibacterial drug targets as they regulate bacterial DNA replication and topology. In a quest for novel DNA topoisomerase inhibitors, a multidisciplinary approach was adopted that involves computational prediction of binding sites and molecular modelling followed by green synthesis and biological evaluation of antibacterial activity of spirobenzimidazo quinazolines derivatives. Using basic quantum chemistry principles, we evaluated spirobenzimidazo quinazolines derivatives with their pharmacokinetic profiles.

A sensitive and efficient LC-MS/MS method for the bioanalysis of fosinopril diacid from human plasma and its application for a bioequivalence study in humans.

Fosinopril diacid is an angiotensin converting enzyme inhibitor with efficient antihypertensive action. It is an active metabolic product formed in the body from hydrolysis of its prodrug Fosinopril. A sensitive, rapid method with high recovery for Fosinopril diacid from human plasma was developed.

Synthesis of novel cytotoxic tetracyclic acridone derivatives and study of their molecular docking, ADMET, QSAR, bioactivity and protein binding properties.

Acridone based synthetic and natural products with inherent anticancer activity advancing the research and generating a large number of structurally diversified compounds. In this sequence we have designed, synthesized a series of tetracyclic acridones with amide framework viz., 3-(alkyloyl/ aryloyl/ heteroaryloyl/ heteroaryl)-2,3-dihydropyrazino[3,2,1-de]acridin-7(1H)-ones and screened for their in vitro anti-cancer activity.

Design, Synthesis and Biological Evaluation of Novel Heterocyclic Fluoroquinolone Citrate Conjugates as Potential Inhibitors of Topoisomerase IV: A Computational Molecular Modeling Study.

Background & Objective: A facile and efficient method for the synthesis of novel derivatives of FQ citrate conjugates with 1,2,4-triazoles and 1,3,4-oxadiazole scaffolds 8-11 using conventional, as well as microwave irradiation methods, was reported. Based on these original building blocks, the new derivatives of 3, 7-disubstituted fluoroquinolones bearing the oxadiazolyl-triazole groups were obtained. These invaluable derivatives are of great interest in medicinal and pharmaceutical studies because of their important biological properties.

Mechanical Strength Enhancement of 3D Printed Acrylonitrile Butadiene Styrene Polymer Components Using Neural Network Optimization Algorithm.

Fused filament fabrication (FFF), a portable, clean, low cost and flexible 3D printing technique, finds enormous applications in different sectors. The process has the ability to create ready to use tailor-made products within a few hours, and acrylonitrile butadiene styrene (ABS) is extensively employed in FFF due to high impact resistance and toughness. However, this technology has certain inherent process limitations, such as poor mechanical strength and surface finish, which can be improved by optimizing the process parameters.

Corrigendum: Taxogenomics Resolves Conflict in the Genus : A Two and Half Decades Pending Thought to Reclassify the Genus .

[This corrects the article DOI: 10.3389/fmicb.2019.

Evaluation of ethanol fermentation efficiency of sweet sorghum syrups produced by integrated dual-membrane system.

1G ethanol from sweet sorghum can be a better alternative to various other sources used for its production. The commercial feasibility is dictated by the high sugar containing varieties, their transport to ethanol plants, storage and availability of robust yeast strains for the fermentation. Eight sweet sorghum cultivars namely CSV19SS, CSV24SS, CSV27, CSV32F, PV, SSV84, RVICSH, SPV1871, SSV74 were tested for their sugar content and varieties-SSV84 and CSV24SS were containing sugar content of 170-190 g/L.