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Synthesis, ADME, docking studies and in vivo anti-hyperglycaemic potential estimation of novel Schiff base derivatives from octadec-9-enoic acid.
Kapoor, Garima; Pathak, Dharam Pal; Bhutani, Rubina; Husain, Asif; Jain, Sandeep; Iqbal, Md Azhar.
Afiliação
  • Kapoor G; Department of Pharmaceutical Chemistry, Delhi Institute of Pharmaceutical Sciences and Research, New Delhi, India. Electronic address: kapoor27garima@gmail.com.
  • Pathak DP; Department of Pharmaceutical Chemistry, Delhi Institute of Pharmaceutical Sciences and Research, New Delhi, India.
  • Bhutani R; Department of Pharmaceutical Chemistry, Delhi Institute of Pharmaceutical Sciences and Research, New Delhi, India.
  • Husain A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Jamia Hamdard (Hamdard University), New Delhi, India.
  • Jain S; Department of Pharmaceutical Chemistry, Guru Jambeshwar University of Science and Technology, Hisar, Haryana, India.
  • Iqbal MA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Jamia Hamdard (Hamdard University), New Delhi, India.
Bioorg Chem ; 84: 478-492, 2019 03.
Article em En | MEDLINE | ID: mdl-30579158
A new series of octadec-9-enoic acid schiff base entities (S1-S30) were designed and synthesized targeting peroxisome proliferator activated receptor-gamma for agonist action. Molinspiration software (online) was used to estimate drug like molecular properties of the metabolites. Docking disquisition on co-crystallized protein of PPAR-γ (PDB ID 1FM9) was carried out which showed S21, S10 and S7 as best situated in the vital sites of receptor having docking scores -9.19, -8.68 and -8.64 respectively. Free binding energy measured using model of Maestro 9.0 and was in range of from -40.01 and -80.54 kcal/mol, significant when compared with pioglitazone (-51.58 Kcal/mol). Seven best docked derivatives were assessed for in-vivo oral glucose tolerance on normal rats and anti-hyperglycaemic activity by streptozotocin induced diabetes model. S21 unveiled to be the best measured analogue among all the synthesized entities. Encouraging outcomes motivates fatty acids for further development of more effective and safer compounds.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Bases de Schiff / Ácido Oleico / Simulação de Acoplamento Molecular / Hipoglicemiantes Tipo de estudo: Prognostic_studies Limite: Animals / Female / Humans / Male Idioma: En Revista: Bioorg Chem Ano de publicação: 2019 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Bases de Schiff / Ácido Oleico / Simulação de Acoplamento Molecular / Hipoglicemiantes Tipo de estudo: Prognostic_studies Limite: Animals / Female / Humans / Male Idioma: En Revista: Bioorg Chem Ano de publicação: 2019 Tipo de documento: Article