Performance efficiency of MIPOH polymers as organic filler on cellulose pulp waste to form cellulosic paper sheets with biological evaluation and computational studies

A novel series of tri-aryl imidazole derivatives 5a–n carrying benzene sulfonamide moiety has been designed for their selective inhibitory against hCA IX and XII activity. Six compounds were found to be potent and selective CA IX inhibitors with the order of 5g > 5b > 5d > 5e > 5g > 5n (Ki = 0.3–1.3 μM, and selectivity ratio for hCA IX over hCA XII = 5–12) relative to acetazolamide (Ki = 0.03 μM, and selectivity ratio for hCA IX over hCA XII = 0.20). The previous sixth inhibitors have been further investigated for their anti-proliferative activity against four different cancer cell lines using MTT assay. Compounds 5g and 5b demonstrated higher antiproliferative activity than other tested compounds (with GI50 = 2.3 and 2.8 M, respectively) in comparison to doxorubicin (GI50 = 1.1 M). Docking studies of these two compounds adopted orientation and binding interactions with a higher liability to enter the active side pocket CA-IX selectively similar to that of ligand 9FK. Molecular modelling simulation showed good agreement with the acquired biological evaluation.

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Synthesis, computational studies and biological evaluation of new 1-acetyl-3-aryl thiourea derivatives as potent cholinesterase inhibitors

Medicinal Chemistry Research ◽

10.1007/s00044-017-1829-6 ◽

2017 ◽

Vol 26 (8) ◽

pp. 1635-1646 ◽

Cited By ~ 17

Author(s):

Aamer Saeed ◽

Muhammad Shakil Shah ◽

Fayaz Ali Larik ◽

Shafi Ullah Khan ◽

Pervaiz Ali Channar ◽

...

Keyword(s):

Cholinesterase Inhibitors ◽

Biological Evaluation ◽

Computational Studies ◽

Thiourea Derivatives

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Synthesis, characterization, computational studies and biological evaluation of S-benzyl-β-N-[3-(4-hydroxy-3-methoxy-phenylallylidene)]dithiocarbazate

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.11.051 ◽

2018 ◽

Vol 1156 ◽

pp. 280-289 ◽

Cited By ~ 4

Author(s):

Rayees A. Bhat ◽

D. Kumar ◽

Manzoor A. Malla ◽

Sami U. Bhat ◽

Md Shahzad Khan ◽

...

Keyword(s):

Biological Evaluation ◽

Computational Studies

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COMPUTATIONAL STUDIES, EFFICIENT SYNTHESIS AND BIOLOGICAL EVALUATION OF PYRAZOLO[3,4- d]PYRIMIDINES AS POTENT INHIBITORS OF CHRONIC MYELOID LEUKEMIA, LUNG CARCINOMA AND BREAST CARCINOMA

RASAYAN Journal of Chemistry ◽

10.31788/rjc.2020.1335692 ◽

2020 ◽

Vol 13 (03) ◽

pp. 1555-1570

Author(s):

Parnas S. Parmar ◽

Saurabh K. Patel

Keyword(s):

Chronic Myeloid Leukemia ◽

Breast Carcinoma ◽

Lung Carcinoma ◽

Myeloid Leukemia ◽

Biological Evaluation ◽

Computational Studies ◽

Efficient Synthesis ◽

Synthesis And Biological Evaluation

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Synthesis of New Indanyl Nucleoside Analogues and their Biological Evaluation on Hepatitis C Virus (HCV) Replicon

Molecules ◽

10.3390/molecules24050990 ◽

2019 ◽

Vol 24 (5) ◽

pp. 990

Author(s):

Matías Gómez ◽

Emiliano Gentile ◽

M. Martini ◽

María Cuestas ◽

Verónica Mathet ◽

...

Keyword(s):

Hepatitis C Virus ◽

Hepatitis C ◽

Biological Evaluation ◽

Computational Studies ◽

Replicon Cell ◽

Racemic Form ◽

Synthetic Procedure ◽

Replicon Cell Line ◽

First Time

Here, we report a convenient synthetic procedure for the preparation of four novel indanyl carbanucleoside derivatives in the racemic form. The action of these compounds against hepatitis C virus was evaluated in vitro using the replicon cell line, Huh7.5 SG. Contrary to our expectations, all these compounds did not inhibit, but rather promoted HCV genotype 1b (HCVg1b) replication. Similar effects have been reported for morphine in the replicon cell lines, Huh7 and Huh8. Several biological experiments and computational studies were performed to elucidate the effect of these compounds on HCVg1b replication. Based on all the experiments performed, we propose that the increase in HCVg1b replication could be mediated, at least in part, by a similar mechanism to that of morphine on the enhancement of this replication. The presence of opioid receptors in Huh7.5 SG cells was indirectly determined for the first time in this work.

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