Molecular Docking Studies on Novel Phenyl Hydrazine Derivatives of Piperidones for Anticancer Efficiency

Rajesh, Patel; Kumar, M. Dinesh; Jamunarani, R.; Manikandan, J.

doi:10.14233/ajchem.2015.19011

Search citation statements

Order By: Relevance

Paper Sections

Select...

Results1

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2018

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Further, the Car-Car and C-N bonds are more sensitive than the other bonds in the molecule. Molecular docking study of this 3-MDPYP molecule and its results also found to be least when compared with the DHFR protein 27 . Two prominent hydrogen bonds are observed between the drug molecules and binding site residues such as Thr56, Ser59 with the bond distance of 2.10 Å, 2.40 Å respectively and it is confirmed that these two bonds are the weakest bonds in the molecule.…”

Section: Resultsmentioning

confidence: 85%

"Dft Based Analysis of N-(3-Methyl-2, 6-Diphenylpiperidin-4-Ylidine)-N'-Phenyl Hydrazine (3-Mdpyp) Molecule "

2018

RJC

View full text Add to dashboard Cite

To analyze the geometrical and topological parameters of the3-MDPYP molecule, the quantum chemical calculations using Density Function Theory (DFT) is performed. This method along with the 6-311G** basis set, confirms the exact geometry of the selected molecule. The vital role of Piperidin-4-ones and its derivatives are found to have great potential in terms of becoming potent compounds in drug design. In this regard, characterizing such compounds to study theoretically and their structure becomes important and economical in performing the suitability test. This paper is a record of such research attempt on studying geometrical properties like the bond angle, bond lengths, torsion angles and bond topological properties of the 3-MDPYP molecule.

show abstract

Section: Resultsmentioning

confidence: 85%

"Dft Based Analysis of N-(3-Methyl-2, 6-Diphenylpiperidin-4-Ylidine)-N'-Phenyl Hydrazine (3-Mdpyp) Molecule "

2018

RJC

View full text Add to dashboard Cite

show abstract

Molecular Docking Studies on Novel Phenyl Hydrazine Derivatives of Piperidones for Anticancer Efficiency

Cited by 1 publication

References 0 publications

"Dft Based Analysis of N-(3-Methyl-2, 6-Diphenylpiperidin-4-Ylidine)-N'-Phenyl Hydrazine (3-Mdpyp) Molecule "

"Dft Based Analysis of N-(3-Methyl-2, 6-Diphenylpiperidin-4-Ylidine)-N'-Phenyl Hydrazine (3-Mdpyp) Molecule "

Contact Info

Product

Resources

About