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Physico-chemical and toxicological properties of para-anisidine based sulfonamides: Theoretical approach and experimental justification
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نویسنده
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ashiq m. ,danish m. ,mumtaz m.w. ,rafique s. ,hussain t.
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منبع
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journal of the chemical society of pakistan - 2017 - دوره : 39 - شماره : 1 - صفحه:125 -131
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چکیده
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To save money and time,theoretical chemistry have provided various software for designing,optimization and derivatization of ligands in search of better molecules with greater efficacy and less toxicity risks. para-anisidine has greater medicinal importance with some toxicity risks and have been used as a model substrate for derivatization. here,in this work osiris property explorer have been used to get optimized derivatives of para-anisidine,which show stronger drug profile and less toxicity risks. using this online tool about 28 molecules has been designed. among them sulfonamide derivatives of para-anisidine were pharmaceutically more active with lower toxicity risk and high drug score than other alkyl derivatives. selected sulfonamides were synthesized and screened against various biological activities. experimental results confirm the suitability of a proposed model for drug optimization. © 2017,chemical society of pakistan. all rights reserved.
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کلیدواژه
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Drug design; OSIRIS; P-anisidine; Sulfonamides; Toxicity
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آدرس
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department of chemistry,university of gujrat,gujrat,pakistan,department of chemistry,university of montreal,montreal,qc, Canada, department of chemistry,university of gujrat,gujrat, Pakistan, department of chemistry,university of gujrat,gujrat, Pakistan, department of chemistry,university of gujrat,gujrat, Pakistan, department of botany,mirpur university of science and technology,bhimber campus,ajk, Pakistan
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Authors
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