NEW 3-PHENYL INDOLE DERIVATIVES ASSEMBLING AS ANTITUBERCULOSIS DRUG USING QSAR AND ADMET STUDY

Authors

  • Putra Jiwamurwa Pama Tjitda Department of Pharmacy, Health Polytechnic of Kupang
  • Karol Octrisdey Department of Medical Laboratory Technology, Health Polytechnic of Kupang
  • Dominus Mbunga Department of Pharmacy, Health Polytechnic of Kupang
  • Febri Odel Nitbani Department of Chemistry, Faculty of Science and Engineering, University of Nusa Cendana

Keywords:

QSAR, Indole, Antituberculosis

Abstract

Abstract

 The newly designed compounds of the 3-phenyl indole derivative show great antituberculosis activities. They become a solution for MDR-TB treatment. This study was conducted to design 3-phenyl indole compounds through the QSAR approach. QSAR study used multi-linear regression (MLR) analysis. ADMET-drug likeness of new compounds investigated through in silico. The result provided the best QSAR equation, which was pMIC = 40.52 + 4.531(QC6) – 9.989(QC8) – 12.567(QC9) + 2.803(HOMO) – 166.568(LUMO). The addition of donating groups in indole compounds could enhance antituberculosis activity. ADME-drug likeness analysis revealed that newly designed compounds were good properties and were non-toxic.

 

 

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Published

2022-04-25

Issue

Vol. 1 No. 1 (2022): Seminar Nasional Kimia dan Pendidikan Kimia

Section

Articles