TY - JOUR
T1 - Docking and molecular dynamic study of isoniazid derivatives as anti-tuberculosis drug candidate
AU - Mardianingrum, Richa
AU - Endah, Sri Rezeki Nur
AU - Suhardiana, Eddy
AU - Ruswanto, Ruswanto
AU - Siswandono, Siswandono
N1 - Funding Information:
We would like to thank Universitas Perjuangan Tasikmalaya on the research grant in 2017 and STIKes Bakti Tunas Husada Tasikmalaya for all facilities in the completion of this project. We would like to especially to the Indonesian Ministry of Research, Technology and Higher Education (Ristekdikti) on BSLN grant 2018.
Publisher Copyright:
© 2021 Elsevier B.V.
PY - 2021/4
Y1 - 2021/4
N2 - In this research, we have designed four isoniazid derivatives, i.e., isonicotinohydrazide (1-isonicotinoyl semicarbazide, 1-thiosemi isonicotinoyl carbazide, N '-(1, 3-dimethyl-1 h-pyrazole-5-carbonyl) isonicotino hydrazide, and N '-(1,2,3- 4-thiadiazole-carbonyl) isonicotinohydrazide. The docking and molecular dynamic have performed to them to study its interaction with Mycobacterium tuberculosis Enoyl-Acyl Carrier Protein Reductase (InhA).
AB - In this research, we have designed four isoniazid derivatives, i.e., isonicotinohydrazide (1-isonicotinoyl semicarbazide, 1-thiosemi isonicotinoyl carbazide, N '-(1, 3-dimethyl-1 h-pyrazole-5-carbonyl) isonicotino hydrazide, and N '-(1,2,3- 4-thiadiazole-carbonyl) isonicotinohydrazide. The docking and molecular dynamic have performed to them to study its interaction with Mycobacterium tuberculosis Enoyl-Acyl Carrier Protein Reductase (InhA).
KW - Anti-tuberculosis
KW - Docking
KW - Inhibin Alpha Subunit (InhA) inhibition
KW - isonicotinohydrazide
UR - http://www.scopus.com/inward/record.url?scp=85099972941&partnerID=8YFLogxK
U2 - 10.1016/j.cdc.2021.100647
DO - 10.1016/j.cdc.2021.100647
M3 - Article
AN - SCOPUS:85099972941
SN - 2405-8300
VL - 32
JO - Chemical Data Collections
JF - Chemical Data Collections
M1 - 100647
ER -
