In silco analysis of carboxamide derivatives of piperidine as potential antagonists of CCR5
نویسندگان
چکیده
Methods We have identified the interaction between CCR5 and existing sulphonyl derivatives of carboxyl amine and it was followed by construction of various derivatives of carboxamide with trans confirmation of carboxyl phenol. Further, the constructed molecules were screened on the basis of various molecular descriptors. The potential derivates were identified using molecular dynamics simulations in 1 nano second using Discovery Studio software suite (version 2.0).
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عنوان ژورنال:
دوره 14 شماره
صفحات -
تاریخ انتشار 2014