Structure-odor relationship in pyrazines and derivatives: A physicochemical study using 3D-QSPR, HQSPR, Monte Carlo, molecular docking, ADME-Tox and molecular dynamics

Author:

OUABANE Mohamed,TABTI Kamal,HAJJI Halima,ELBOUHI Mhamed,KHALDAN Ayoub,ELKAMEL Khalid,SBAI Abdelouahid,Aziz AJANA Mohammed,SEKKATE Chakib,BOUACHRINE Mohammed,LAKHLIFI Tahar

Publisher

Elsevier BV

Subject

General Chemical Engineering,General Chemistry

Reference30 articles.

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2. Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics;Alamri;Arab. J. Chem.,2020

3. 3D-QSAR, docking, molecular dynamics simulation and free energy calculation studies of some pyrimidine derivatives as novel JAK3 inhibitors;Balupuri;Arab. J. Chem.,2020

4. 2D-QSPR study of olfactive thresholds for pyrazine derivatives using DFT and statistical methods;Belhassan;Emerg. Sci. J.,2019

5. Chtita, S., Lakhlifi, T., Bouachrine, M, Belhassan, A., Bouachrine, Mohammed, 2018. 3D-QSPR studies of olfactive property for pyrazine derivatives 3D-QSPR studies of olfactive property for pyrazine derivatives MOTS-CLÉS, Proceedings BIOSUNE.

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