Exploring the structural necessities of novel Indole-2-carboxamides in terms of QSAR modeling; a CB1 receptor antagonist

Authors

  • Milan Kumar Maiti BCDA College of Pharmacy & Technology, 78, Jessore Road (S), Hridaypur, Kol-700127
  • Partha Pratim Mahata BCDA College of Pharmacy & Technology, 78, Jessore Road (S), Hridaypur, Kol-700127
  • Pallab Dasgupta BCDA College of Pharmacy & Technology, 78, Jessore Road (S), Hridaypur, Kol-700127

Keywords:

CB1 antagonist, Obesity, QSAR study, Wang ford’s charge, electrostatic potential charge, Indole-2- carboxamide.

Abstract

Obesity and its connected co-morbidities, such as type 2 diabetes, hypertension, dyslipidemias and cancer masquerade a serious life threat to the community health. A novel class of indole- 2- carboxamide antagonist was demonstrating a signs of a potent CB1 activity along with an excellent CB1 selectivity. These CB1 receptor antagonists could considerably decrease fatness and obesity was suggested to have potential therapeutic usefulness as hunger suppressants for the management of obesity. To investigate the structural necessities for more energetic antiobesity agents, QSAR study was performed on twenty-four indole- 2- carboxamides. The QSAR study was performed here comprises few statistical analysis methods like MLR, FA-MLR; PCRA etc.. The substituted Indole- 2- carboxamide pharmacophore was number as per the international union of Pure and applied chemistry.  QSAR study reveals that increase charge at atom numbers 2 and 7 of Indole- 2- carboxamide may be unfavorable for antiobesity activity. Increasing value of the electrostatic potential charges at atom numbers 8 and 9 may be detrimental but increasing electrostatic potential charge at the atom number 3 may be favorable for CB1 antagonistic activity. Presence of electron withdrawing group at atom numbers 8 and 9 and electron releasing group at atom numbers 3 may contribute positivity to the CB1 receptor antagonistic activity. The above structure activity relationship outcome will have been an appropriate target for further synthesis and biological activity determination with low cost and less time consuming promising approach.

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Published

2022-10-08