Comparative atom-based 3D QSAR study of 3-nitro-1H-1,2,4-triazole-based aliphatic and aromatic amines analogs for its anti-trypanosomal activities
The present study describes development of 3D-QSAR on anti-trypanosomal activity based
on selected pharmacophore hypothesis. The 3-nitro-1 H-1, 2, 4-triazole-aliphatic and …
on selected pharmacophore hypothesis. The 3-nitro-1 H-1, 2, 4-triazole-aliphatic and …
Comparative atom-based 3D QSAR study of 3-nitro-1H-1,2,4-triazole-based aliphatic and aromatic amines analogs for its anti-trypanosomal activities.
SK Suresh Kumar, RA Ritesh Agrawal… - 2015 - cabidigitallibrary.org
The present study describes development of 3D-QSAR on anti-trypanosomal activity based
on selected pharmacophore hypothesis. The 3-nitro-1 H-1, 2, 4-triazole-aliphatic and …
on selected pharmacophore hypothesis. The 3-nitro-1 H-1, 2, 4-triazole-aliphatic and …
Atom based 3D-QSAR study of 1, 4-benzodiazepine-2-ones as potent anti-trypanosomal agents and its validation
In the investigation, a robust pharmacophore model to investigate structure–activity
relationship of 1, 4-benzodiazepine-2-ones derivatives was developed for human African …
relationship of 1, 4-benzodiazepine-2-ones derivatives was developed for human African …
[PDF][PDF] 2D-QSAR Study of 1, 3, 4-thiadiazole-2-arylhydrazone Derivatives: An approach to design antitrypanosomal agents
Megazol is a highly active compound against Trypanosoma cruzi, and has become a core
structure for the design of new trypanocidal agent. Recently, a new potent trypanocide agent …
structure for the design of new trypanocidal agent. Recently, a new potent trypanocide agent …
Atom based 3D-QSAR study of 1, 4-benzodiazepine-2-ones as potent anti-trypanosomal agents and its validation.
NM Neelesh Maheshwari, AG Anju Goyal… - 2014 - cabidigitallibrary.org
In the investigation, a robust pharmacophore model to investigate structure-activity
relationship of 1, 4-benzodiazepine-2-ones derivatives was developed for human African …
relationship of 1, 4-benzodiazepine-2-ones derivatives was developed for human African …
[PDF][PDF] DESIGNING POTENT ANTITRYPANOSOMAL AGENTS USING 3D QSAR, PHARMACOPHORE MODELLING, VIRTUAL SCREENING AND MOLECULAR …
The last twenty years have seen noteworthy success in efforts to control HAT (Human
African Trypanosomiasis) in Africa. HAT is a neglected tropical disease with major public …
African Trypanosomiasis) in Africa. HAT is a neglected tropical disease with major public …
3D QSAR Studies on Benzyl Phenyl Ether Diamidine Derivatives with Antiprotozoal Activities
J Tong, Y Wu, M Bai - Journal of Structural Chemistry, 2018 - Springer
Human African trypanosomiasis (HAT) is a neglected tropical disease, and some drugs
treating HAT have been used for even more than 60 years. Currently, a series of benzyl …
treating HAT have been used for even more than 60 years. Currently, a series of benzyl …
Designing potential antitrypanosomal thiazol-2-ethylamines through predictive regression based and classification based QSAR analyses
Background: Thiazol-2-ethylamine is recently reported to be an interesting scaffold having
antitrypansomal activity for the treatment of sleeping sickness. Methods: Statistically …
antitrypansomal activity for the treatment of sleeping sickness. Methods: Statistically …
3D QSAR on a library of heterocyclic diamidine derivatives with antiparasitic activity
African trypanosomes, Trypanosoma brucei rhodesiense (TBR) and Trypanosoma brucei
gambiense (TBG), affect hundreds of thousands of lives in tropical regions of the world. The …
gambiense (TBG), affect hundreds of thousands of lives in tropical regions of the world. The …
Development of 3D-QSAR and pharmacophoric models to design new anti-Trypanosoma cruzi agents based on 2-aryloxynaphthoquinone scaffold
M Paulino, C Espinosa-Bustos, J Bertrand… - SAR and QSAR in …, 2022 - Taylor & Francis
In this work we have collected a set of 30 trypanosomicidal naphthoquinones and
developed pharmacophoric and 3D-QSAR models as tools for the design of new potential …
developed pharmacophoric and 3D-QSAR models as tools for the design of new potential …