Novel thiosemicarbazones of coumarin incorporated isatins: synthesis, structural characterization and antileishmanial activity.

Leishmaniasis, a neglected tropical disease affecting 0.7 to 1.3 million people annually, has only a few toxic therapeutic options.

Smart colorimetric indicator films prepared from chitosan and polyvinyl alcohol with high mechanical strength and hydrophobic properties for monitoring shrimp freshness.

This work aimed to develop and characterize a colorimetric indicator films based on chitosan (CS), polyvinyl alcohol (PVA), and shikonin (SKN) from radix Lithospermi by casting method. The prepared films can serve as smart packaging for monitoring shrimp freshness which having excellent antimicrobial and antioxidant activity. The shikonin containing films have better hydrophobicity, barrier properties, and tensile strength.

Assessment and computational bioevaluation of heavy metals from selected cosmetic products.

Heavy metal toxicity in environment has been an increasing issue for last decades, though now the attention has diverted to presence of heavy metals in cosmetic products. The aim of this study was to determine the concentration of selected heavy metals in cosmetic products (lipsticks and foundations) using ICP-OES. Health risk assessment was done by using hazard quotient (HQ) and hazard index (HI).

Designing Click One-Pot Synthesis and Antidiabetic Studies of 1,2,3-Triazole Derivatives.

In the present study, a new series of 1,2,3-triazole derivatives was synthesized via a click one-pot reaction. The synthesized compounds were found to be active during molecular docking studies against targeted protein 1T69 by using the Molecular Operating Environment (MOE) software. The designed and synthesized compounds were characterized by using FT-IR, H-NMR and LC-MS spectra.

Translation, Adaptation, and Validation of a Multitasking Instrument in the Context of Collectivist Asian Culture.

Background: Multitasking is a rapidly evolving construct and we are in dire need of a sound tool for measuring multitasking behaviors and abilities across socio-cultural contexts. To this end, this study has put forward a cultural adaptation (through back translation) of an already developed (Kushniryk, 2008) measure i.e.

Identification of two novel thiazolidin-2-imines as tyrosinase inhibitors: synthesis, crystal structure, molecular docking and DFT studies.

Various - and -containing 5-membered heterocycles such as imidazole-2-thiones, thiazolidinones and thiazolidin-2-imines are among the most eminent biologically active organic heterocycles and are present in many marketed drugs. In view of their synthetic and biological significance, an efficient synthesis of two novel thiazolidine-2-imines () utilizing a three-component one-pot approach starting from an aldimine, an alkyne and isothiocyanates has been developed. The reaction proceeded a ( cyclization of a propargyl thiourea, formed in the presence of Zn-catalyst.

Synthesis, Characterization, Biological Evaluation and DNA Interaction Studies of 4-Aminophenol Derivatives: Theoretical and Experimental Approach.

In the present study, five 4-aminophenol derivatives (4-chloro-2-(((4-hydroxyphenyl)imino)methyl)phenol(S-1), 4-((4-(dimethylamino)benzylidene)amino)phenol(S-2), 4-((3-nitrobenzylidene)amino)phenol(S-3), 4-((thiophen-2-ylmethylene)amino)phenol(S-4) and 4-((()-3-phenylallylidene)amino)phenol(S-5)) were synthesized and characterized by FT-IR, H-NMR, C-NMR and elemental analyses. The synthesized compounds were tested for their antimicrobial (Gram-positive and Gram-negative bacteria and   fungus) and antidiabetic (α-amylase and α-glucosidase inhibitory) activities. All the compounds showed broad-spectrum activities against the (ATCC 6538), (ATCC 4698), (ATCC 12228), (ATCC 6633), (ATCC 4617) and (ATCC 9763) strains.

Attenuation of spatial memory in 5xFAD mice by targeting cholinesterases, oxidative stress and inflammatory signaling using 2-(hydroxyl-(2-nitrophenyl)methyl)cyclopentanone.

Alzheimer's disease (AD) is classified pathologically as a progressive neurological disorder associated with memory decline. The study was designed to assess the underlying molecular signaling involved in the neuroprotective effect of the 2-(hydroxyl-(2-nitrophenyl)methyl)cyclopentanone (2NCP) as a novel therapeutic agent for AD. In this connection, in vitro cholinesterases inhibitory and antioxidant activities were investigated.

Novel coumarin-isatin hybrids as potent antileishmanial agents: Synthesis, in silico and in vitro evaluations.

Leishmaniasis being one of the six major tropical diseases that affects nearly 0.7-1.3 million people annually, has so far limited and high toxic therapeutic options.

Computational and biological studies of novel thiazolyl coumarin derivatives synthesized through Suzuki coupling.

The current investigation presents the synthesis, computational molecular-docking and biological activity studies of arylated thiazole coumarins. Aryl substituted thiazolyl coumarin derivatives were synthesized via Suzuki cross-coupling reaction. A detailed reaction condition optimization revealed that the Pd-PEPPSI-IPent precatalyst in only 2 mol% loading resulted in the desired product with high yield.

Novel copper complexes of metronidazole and metronidazole benzoate: synthesis, characterization, biological and computational studies.

Synthesis and characterization of novel copper complexes of metronidazole benzoate (MTZ Benz), metronidazole (MTZ) in the presence of another ligand; dichloroacetic acid (DCA) were compared and reported in the present work. Different bacterial and fungus strains were ascertained to evaluate the biological potency of the synthesized complexes, that is, and yeast strain Agar diffusion method was employed to investigate antibacterial activities of the synthesized metal complexes and the tested parent ligands. α-Amylase and α-glucosidase inhibition studies of the synthesized complexes were also carried out.

Synthesis, anticancer evaluation and molecular docking studies of methotrexate's novel Schiff base derivatives against malignant glioma cell lines.

Recent years have witnessed advancement in cancer research that has led to the development of improved cytotoxic therapies with reduced side effects. Methotrexate (MTX) is a commonly used anticancer drug having robust activity, but with serious side effects. Several derivatives of MTX have been reported by modification at different sites to reduce its side effects and enhance efficacy.

Experimental Calculations of Metals Content in Skin-Whitening Creams and Theoretical Investigation for Their Biological Effect Against Tyrosinase Enzyme.

The demand for skin-whitening creams (SWCs) has increased rapidly worldwide due to sharp rise in product advertisements in the media and the growing awareness. Metals are present either as impurities or added intentionally in creams and may have toxic effects on users. The present study was carried out to determine the content of metals such as mercury (Hg), cadmium (Cd), lead (Pb), arsenic (As), chromium (Cr), nickel (Ni), cobalt (Co), copper (Cu), zinc (Zn), and iron (Fe) in fifteen skin-whitening creams marketed at local shops in Islamabad, Pakistan.

Correction to: Appraisal of disease-modifying potential of amlodipine as an anti-arthritic agent: new indication for an old drug.

Unfortunately, the 4th author name was incorrectly published in the original publication.

Appraisal of disease-modifying potential of amlodipine as an anti-arthritic agent: new indication for an old drug.

Amlodipine, a second-generation calcium channel blocker, exhibits documented anti-inflammatory potential. Thereby, present investigation was accomplished with an aim to explore anti-arthritic potential of amlodipine, giving a second chance to an existing drug. For validation of anti-arthritic potential of amlodipine, some in vitro models comprised of bovine serum albumin- and egg albumin-induced protein denaturation along with membrane stabilization of red blood cell was being conducted.

Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck-Mizoroki cross coupling reactions.

The present research work describes the synthesis of five new ligands containing pyridinium amine, [HL][OTf]-[HL][I] from two new precursors, [P ][I] and [P ][CFSO]. The structure elucidations of the compounds were confirmed by multinuclear NMR (H, C), FT-IR and by single crystal XRD techniques. Theoretical DFT studies were carried out to get better insight into the electronic levels and structural features of all the molecules.

Corrigendum: A Multi-Mode Bioactive Agent Isolated From L. Fill. With Therapeutic Potential for Type 2 Diabetes Mellitus.

[This corrects the article DOI: 10.3389/fphar.2018.

Synthesis, characterization and biological evaluation of novel benzimidazole derivatives.

In search of achieving less toxic and more potent chemotherapeutics, three novel heterocyclic benzimidazole derivatives: 2-(1H-benzo[d]imidazol-2-yl)-4-chlorophenol (BM1), 4-chloro-2-(6-methyl-1H-benzo[d]imidazol-2-yl)phenol (BM2) and 4-chloro-2-(6-nitro-1H-benzo[d]imidazol-2-yl)phenol (BM3) with DNA-targeting properties, were synthesized and fully characterized by important physicochemical techniques. The DNA binding properties of the compounds were investigated by UV-Visible absorption titrations and thermal denaturation experiments. These molecules exhibited a good binding propensity to fish sperm DNA (FS-DNA), as evident from the high binding constants () values: 1.

A Multi-Mode Bioactive Agent Isolated From L. Fill. With Therapeutic Potential for Type 2 Diabetes Mellitus.

Type 2 diabetes is a metabolic disorder, characterized by hyperglycemia and glucose intolerance. Natural products and its derived active compounds may be achievable alternatives for the treatment of type 2 diabetes. In present study we investigated the antidiabetic potential of and isolated bioactive compounds i.

Synthesis of aryl pyrazole via Suzuki coupling reaction, in vitro mushroom tyrosinase enzyme inhibition assay and in silico comparative molecular docking analysis with Kojic acid.

Aryl pyrazoles are well recognized class of heterocyclic compounds found in several commercially available drugs. Owing to their significance in medicinal chemistry, in this current account we have synthesized a series of suitably substituted aryl pyrazole by employing Suzuki cross-coupling reaction. All compounds were evaluated for inhibition of mushroom tyrosinase enzyme both in vitro and in silico.

Polypharmacology Approach Against Migraine with Aura and Brain Edema for the Development of an Efficient Inhibitor and its Analogues.

Background: Polypharmacology is a design or use of pharmaceutical agents in which single drug is used to treat multiple diseases. Aquaporin proteins are identified to treat migraine with aura and brain edema. This study focuses on Aquaporin-1 and Aquaporin-4.

Microwave-assisted synthesis and bioevaluation of some semicarbazones.

In continuation to our efforts in finding potential therapeutic agents, a variety of biologically significant semicarbazones were synthesized by the reaction of different carbonyl compounds with phenyl semicarbazides through microwave irradiation. Initially, 18 semicarbazones were studied for their antimicrobial, antitumor, and antioxidant potential. None of the tested compounds showed any antibacterial activity; however, some compounds showed significant antifungal activity.

In silico modeling of the specific inhibitory potential of thiophene-2,3-dihydro-1,5-benzothiazepine against BChE in the formation of beta-amyloid plaques associated with Alzheimer's disease.

Background: Alzheimer's disease, known to be associated with the gradual loss of memory, is characterized by low concentration of acetylcholine in the hippocampus and cortex part of the brain. Inhibition of acetylcholinesterase has successfully been used as a drug target to treat Alzheimer's disease but drug resistance shown by butyrylcholinesterase remains a matter of concern in treating Alzheimer's disease. Apart from the many other reasons for Alzheimer's disease, its association with the genesis of fibrils by beta-amyloid plaques is closely related to the increased activity of butyrylcholinesterase.