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Synthesis of aryl p...
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
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- Channar, Pervaiz Ali (author)
- Quaid I Azam Univ, Dept Chem, Islamabad 45320, Pakistan
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- Saeed, Aamer (author)
- Quaid I Azam Univ, Dept Chem, Islamabad 45320, Pakistan
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- Larik, Fayaz Ali (author)
- Quaid I Azam Univ, Dept Chem, Islamabad 45320, Pakistan
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- Batool, Bakhtawar (author)
- Quaid I Azam Univ, Dept Chem, Islamabad 45320, Pakistan
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- Kalsoom, Saima (author)
- Int Islamic Univ, SA CIRBS, Islamabad, Pakistan
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- Hasan, M. M. (author)
- PIEAS, Islamabad, Pakistan
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- Erben, Mauricio F. (author)
- UNLP, CONICET, Fac Ciencias Exactas, CEQUINOR,CCT La Plata,Dept Quim, CC 962, RA-1900 La Plata, Buenos Aires, Argentina
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- El-Seedi, Hesham (author)
- Uppsala universitet,Farmakognosi
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- Ali, Musrat (author)
- Quaid I Azam Univ, Dept Biol Sci, Islamabad 45320, Pakistan
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- Ashraf, Zaman (author)
- Allama Iqbal Open Univ, Dept Chem, Islamabad 44000, Pakistan
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(creator_code:org_t)
- ACADEMIC PRESS INC ELSEVIER SCIENCE, 2018
- 2018
- English.
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In: Bioorganic chemistry (Print). - : ACADEMIC PRESS INC ELSEVIER SCIENCE. - 0045-2068. ; 79, s. 293-300
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- 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. Compound 3f (IC50 = 1.568 +/- 0.01 mu M) showed relatively better potential compared to reference kojic acid (IC50 = 16.051 +/- 1.27 mu M). A comparative docking studies showed that compound 3f have maximum binding affinity against mushroom tyrosinase (PDBID: 2Y9X) with binding energy value (-6.90 kcal/mol) as compared to Kojic acid. The 4-methoxy group in compound 3f shows 100% interaction with Cu. Compound 3f displayed hydrogen binding interaction with His61 and His94 at distance of 1.71 and 1.74 angstrom which might be responsible for higher activity compared to Kojic acid.
Subject headings
- MEDICIN OCH HÄLSOVETENSKAP -- Medicinska och farmaceutiska grundvetenskaper -- Läkemedelskemi (hsv//swe)
- MEDICAL AND HEALTH SCIENCES -- Basic Medicine -- Medicinal Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Organisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Organic Chemistry (hsv//eng)
Keyword
- Aryl pyrazoles
- Suzuki cross coupling
- In vitro Mushroom tyrosinase assay
- Kojic acid
- In silico Molecular docking studies
Publication and Content Type
- ref (subject category)
- art (subject category)
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Channar, Pervaiz ...
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Saeed, Aamer
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Larik, Fayaz Ali
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Batool, Bakhtawa ...
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Kalsoom, Saima
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Hasan, M. M.
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show more...
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Erben, Mauricio ...
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El-Seedi, Hesham
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Ali, Musrat
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Ashraf, Zaman
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show less...
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- MEDICAL AND HEALTH SCIENCES
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MEDICAL AND HEAL ...
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and Basic Medicine
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and Medicinal Chemis ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Organic Chemistr ...
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Bioorganic chemi ...
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Uppsala University