ANTICHOLINESTERASE ACTIVITY OF OCTA PEPTIDES RELATED TO HUMAN HISTATIN 8: IN-SILICO DRUG DESIGN AND IN-VITRO

Objective: To evaluate the octapeptides related to human histatin 8 by in-silico and in-vitro studies.Method: Schrodinger, LLC and Ellman's method.Results: The compound HH1 and HH2 was found to be potent docking score of −9.494 and −7.401 against acetylcholinesterase (AChE) enzyme. The IC50 value of HH1 and HH2 was found to be 0.39±0.28 and 0.78±0.15 μg/mL. However, these compounds are shown to be highly effective as compared with the control AChE inhibitor donepezil (0.065±0.0050 μg/mL).Conclusion: In-silico docking study was conducted for the designed octapeptides related to human histatin 8 against AChE enzyme shows significance binding affinity toward HH1 and HH2 peptides and the AChE inhibitory activity of octapeptides shown to be a highly potent inhibitor as compared with control donepezil

Identification of Benzoxazolinone Derivatives Based Inhibitors for Depression and Pain Related Disorders Using Human Serotonin and Norepinephrine Transporter as Dual Therapeutic Target: A Computational Approach

Pain is commonly associated with depression. Both pain and depression share common biological pathways and neurotransmitters, which has implications for the treatment of both disorders. A drug that could ameliorate both pain and depression could be beneficial in the development of new therapeutics in the management of disorders associated with pain/depression dyad. Alterations in the neurotransmitters namely, serotonin and norepinephrine in the central nervous system (CNS) have been implicated in the pathophysiology of pain and depression. Serotonin and norepinephrine reuptake inhibitors (SNRIs) have been implicated as a novel therapeutic target for a wide range of biological functions, including pain, anxiety and depression. 2-benzoxazolinone (2-BOA) from the mangrove Acanthus ilicifolius and its derivatives have been reported for its analgesic and antidepressant activities. In the present work, docking studies were done on the crystal structure of human transporters of serotonin (hSERT) and on homology modeled human transporters of norepinephrine (hNET) as therapeutic targets of depression and pain related disorders using 2-BOA and its derivatives as potential candidates. A homology model for hNET was constructed using MODELLER and validated. Further docking studies were done on hSERT and hNET using 2-BOA and its structural analogs. The result of the study proposes the possible potential candidate among 2-BOA derivatives that may be further developed as a therapeutic lead compound for use in disorders associated with depression and pain

Synthesis, spectral correlation analysis and evaluation of biological activities of some substituted hydrazones

Some novel substituted hydrazone derivatives of amino guanidine have been synthesized with different substituted benzaldehydes by condensation method. The synthesized hydrazones were characterized by their physical constants, UV, IR and NMR spectra. The spectral data have been correlated with Hammett substituent constants and Swain–Lupton parameters. From the result of statistical analysis, the effects of substituents on the spectral data have been predicted. The antimicrobial activities of these synthesized hydrazone compounds have been screened by Bauer-Kirby method using human pathogenic bacteria and fungal species. The antimicrobial activities of all synthesized hydrazone compounds have shown significant activity

Synthesis, Evaluation of Substituent Effect and Antimicrobial Activities of Substituted (E)-1-(3-bromo-4-morpholinophenyl)-3-phenylprop-2-en-1-one Compounds

A series of ten substituted (E)-1-(3-bromo-4-morpholinophenyl)-3-phenylprop-2-en-1-one compounds were synthesized by Crossed-Aldol condensation of 3-bromo-4-marpholino acetophenone with various substituted and unsubstituted benzaldehydes in presence of sodium hydroxide. The entire ten compounds are novel and these have been newly synthesized compounds. The synthesized substituted 3-phenylprop-2-en-1-one were characterized by their physical constants and UV, IR, NMR spectral data. These observed UV absorption maximum (λmax nm) value. The group frequencies of infrared absorption (cm-1) of νCO s-cis and s-trans, deformation modes of νCH out of plane and in-plane, νCH=CH out of plane, ν>C=C<out of plane values, 1H chemical shifts (ppm) vinyl protons, 13C chemical shifts (ppm) carbonyl carbons and vinyl carbons values were correlated with various Hammett substituent constants, and Swain-Lupton parameters using single and multi-regression analyses. From the results of statistical analysis, the effects of substituents on the functional group frequencies were studied. The antimicrobial activities of these synthesized substituted (E)-1-(3-bromo-4-morpholinophenyl)-3-phenylprop-2-en-1-ones have been screened using Kirby-Bauer method. DOI: http://dx.doi.org/10.17807/orbital.v9i1.85

Eco-friendly Synthesis, Spectral Correlation Analysis, and Antimicrobial Activities of Substituted (E)-1-benzylidene-2-(3-nitrophenyl)hydrazines

In the present study, a series of ten substituted (E)-1-benzylidene-2-(3-nitrophenyl)hydrazine compounds have been synthesized by condensation of  3-nitrophenylhydrazine with various substituted benzaldehydes using SiO2-H3PO4 catalyst under solvent free condition. This method involves shorter reaction time (5-10 minutes) with excellent yield (80-90%). The structures of the synthesized (E)-1-benzylidene-2-(3-nitrophenyl)hydrazines have been characterized by their physical constants, UV, FT-IR and NMR spectral data. The characterized UV, FT-IR and NMR spectral data have been correlated with Hammett constants using single-linear and multi-linear regression analysis. From the results of single-linear and multi-linear regression analysis the effect of substituents on the spectral data have been discussed.  The antimicrobial activities of all the (E)-1-benzylidene-2-(3-nitrophenyl)hydrazine compounds have been tested using Bauer-Kirby method. DOI: http://dx.doi.org/10.17807/orbital.v8i5.86

Silver nanoparticles, synthesized using Hyptis suaveolens (L) poit and their antifungal activity against Candida spp.

Silver nanoparticles (AgNPs), due to their interesting properties and many potential applications have attracted enormous interests in recent years. An attempt has been made in this present study to synthesize AgNPs through biological reduction of silver nitrate, with leaf extract of Hyptis suaveolens (L) Poit serving as a reducing agent. AgNPs formed were characterized with spectral (UV-Vis, XRD, FTIR) and electron microscopic investigations. Dispersed spherical nanosilver particles in the range of 2 nm–85 nm were observed through microscopic analysis and the crystalline nature was evidenced through XRD analyses. Anticandidal activity of biosynthesised AgNPs was evaluated against two Candida albicans strains. The minimum inhibitory concentration (MIC) values for AgNPs against the two clinical strains were 0.27±0.03 μg/ml and 0.97±0.13 μg/ml. AgNPs were found to be more effective than the amphotericin-B used as control against the strains of the test pathogens. Scanning electron microscopic (SEM) analyses of the Candida cells treated with AgNPs shows change in the surface morphology, suggesting cell wall disruption to be a potential mode of anticandidal activity. Based on our observations, AgNPs synthesized with leaf extract of Hyptis suaveolens could be potentially used in combating candidal infections.Universidade de Vigo/CISU

Synthesis, spectral LFER and antimicrobial activities of some (E)-N׳-(1-(substituted phenyl)ethylidene)benzohydrazides

About eleven substituted (E)-N׳-(1-(substituted phenyl) ethylidene) benzo- hydrazides have been synthesized. They are characterized by their analytical, ultraviolet, infrared and NMR spectral data. The antibacterial and fungal activities of these chalcones have been evaluated

Low-concentration detection of H2S using temperature-dependent Cr-doped cobalt-oxide gas sensors

Among the existing metal-oxide gas sensors, cobalt oxide has the flexibility to revise the morphology through Cr-dopant to enhance sensing properties. Sensitive-surface of the chromium-doped cobalt oxide has proven its effective sensing nature to hydrogen sulfide gas. Interestingly, chromium-dopant increases the surface area, leading to particle size reduce and produces the more active sites for gas molecules. Also, the dopant creates impurity phases on the material which extends the sites for more reaction. To confirms these characteristics, the photoluminescence spectra showed intense peak that mimics the faster transport of electron to accelerate the sensing reaction. According to sensing measurement, the doped sensor is showing three-fold increase of response to 10 ppm gas and also, it detects the 2 ppm efficiently. The doped sensor warrants the stable response to gas due to higher reproducibility. Notably, the doped sensor detects the 1 ppm of gas at 120 s and recovery itself around 200 s. The doped sensor imparts response at room-temperature, affirming sensitive-surface. The doped sensor has shown the capable under humidity environment through response