QSAR Study on Arylthioquinoline Derivatives as Anti-tubercular Agents
@inproceedings{Ravichandran2015QSARSO, title={QSAR Study on Arylthioquinoline Derivatives as Anti-tubercular Agents}, author={Veerasamy Ravichandran and Sivadasan Shalini and Krishnamoorthi Venaktes Kumar and Rajak Harish and Krishnan Suresh Kumar}, year={2015} }
Aim: The major issue for many anti-tubercular agents is the resistance of Mycobacterium tuberculosis strains. Quinoline compounds serve as anti-mycobacterial agents with encouraging anti-tubercular activity. The main aim of this study is to develop 2D QSAR models for a series of arylthioquinoline to predict their ideal characteristics as potential anti-tubercular agents. Materials and Methods: Used CS Chem Office 2004 and Molecular Modeling Pro 6.1.0 software for modeling and models development…
3 Citations
Theoretical modeling and molecular docking simulation for investigating and evaluating some active compounds as potent anti-tubercular agents against MTB CYP121 receptor
- Chemistry, BiologyFuture Journal of Pharmaceutical Sciences
- 2018
Quantitative structure–activity relationship (QSAR) and molecular docking of xanthone derivatives as anti-tuberculosis agents
- Chemistry, BiologyJournal of clinical tuberculosis and other mycobacterial diseases
- 2020
Quantitative Structure Activity Relationship Analysis of Selected Chalcone Derivatives as Mycobacterium tuberculosis Inhibitors
- Chemistry
- 2016
In order to gain further insights into the structural requirements for anti-tuberculosis activity by chalcone derivatives of 1,3-diphenylprop-2-ene-1-one, quantitative structure activity relationship…
References
SHOWING 1-10 OF 33 REFERENCES
QSAR studies of 7-methyljuglone derivatives as antitubercular agents
- Chemistry, BiologyMedicinal Chemistry Research
- 2011
This validated model brings important structural insight to aid in the design of novel antitubercular agents to treat TB through quantification of structure–activity relationship of 7-methyljuglone derivatives.
3D QSAR Studies of 1, 3,4-oxadiazole Derivatives as Antimycobacterial Agents
- Chemistry, Biology
- 2009
3D QSAR studies for the 41 molecules of 1,3,4-oxadiazoles are reported by using k-Nearest Neighbor Molecular Field Analysis (kNN-MFA) combined with various selection procedures, which has shown that presence of sulphur is must for activity, however the larger bulky substituents reduce the activity.
Synthesis, anti-tubercular activity and 3D-QSAR study of coumarin-4-acetic acid benzylidene hydrazides.
- Chemistry, BiologyEuropean journal of medicinal chemistry
- 2008
Screening for In Vitro Antimycobacterial Activity and Three‐Dimensional Quantitative Structure–Activity Relationship (3D‐QSAR) Study of 4‐(arylamino)coumarin Derivatives
- Biology, ChemistryChemical biology & drug design
- 2010
A small library of 50 analogues of 4‐(arylamino)coumarins with various aromatic amines at the C4‐ position of the coumarin scaffold is synthesized, finding compound 9 was found to be most potent with a minimum inhibitory concentration >6.25 μg/mL for 100% inhibition.
Prediction of Anti-mycobacterial Activity of 2-(4-(4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid Analogs: A QSAR Approach
- Chemistry, Biology
- 2009
The study shows that molecular geometry, atomic masses, hydrogen acceptor donor interactions are driving forces for describing the activity of 2-(4,5-dihydro-1Hpyrazol-3-yl)phenoxy)acetic acid as anti-mycobacterial agents.
QSAR study of some 5-methyl/trifluoromethoxy- 1H-indole-2,3-dione-3-thiosemicarbazone derivatives as anti-tubercular agents
- ChemistryResearch in pharmaceutical sciences
- 2009
Results indicate a linear relationship between the principal components obtained from molecular descriptors and the inhibitory activity of this set of molecules.
Isonicotinic acid hydrazide derivatives: synthesis, antimicrobial activity, and QSAR studies
- Biology, ChemistryMedicinal Chemistry Research
- 2011
The multi-target QSAR models were found to be effective in predicting the antimicrobial activity of the isoniazid derivatives and indicated the importance of nuclear repulsion energy (Nu.E) in explaining the antimacterial activity of isoniaZid derivatives.
2‐(pyrazin‐2‐yloxy)acetohydrazide Analogs QSAR Study: An Insight into the Structural Basis of Antimycobacterial Activity
- Chemistry, BiologyChemical biology & drug design
- 2010
The study revealed that antimycobacterium activity is predominantly explained by the molecular connectivity indices of length 6, hydrogen donor feature of the analogs, and shape factors of the substituent.
Study of physicochemical properties-antitubercular activity relationship of naphthalene-1,4-dione analogs: A QSAR approach
- Chemistry, Biology
- 2009
A quantitative structure activity relationship study furnished some important structural insights for antitubercular activity and drivers for the cytotoxicity of compounds that will be helpful in further development of safer and potent 1,4-naphthoquinone derivatives.
QSAR study of substituted 1,3,4-oxadiazole naphthyridines as HIV-1 integrase inhibitors.
- Chemistry, BiologyEuropean journal of medicinal chemistry
- 2010