Spectroscopic investigations, quantum chemical, drug likeness and molecular docking studies of methyl 1-methyl-4-nitro-pyrrole-2-carboxylate: A novel ovarian cancer drug.

Kavi Bharathi, A; Christopher Jeyaseelan, S; Hussain, Shamima; Milton Franklin Benial, A

Kavi Bharathi, A; Christopher Jeyaseelan, S; Hussain, Shamima; Milton Franklin Benial, A.

Affiliation

Kavi Bharathi A; P.G. & Research Department of Physics, N.M.S.S.V.N. College, Madurai 625019, Tamil Nadu, India.
Christopher Jeyaseelan S; PG Department of Physics, Mannar Thirumalai Naicker College, Pasumalai, Madurai 625 004, Tamil Nadu, India.
Hussain S; UGC-DAE CSR, Kalpakkam Node, Via Kokilamedu gate, Kokilamedu 603104, Tamil Nadu, India.
Milton Franklin Benial A; P.G. & Research Department of Physics, N.M.S.S.V.N. College, Madurai 625019, Tamil Nadu, India. Electronic address: miltonfranklin@yahoo.com.

Spectrochim Acta A Mol Biomol Spectrosc ; 302: 123074, 2023 Dec 05.

Article in En | MEDLINE | ID: mdl-37418904

Subject(s)

Ovarian Neoplasms; Spectrum Analysis, Raman; Female; Humans; Molecular Docking Simulation; Spectroscopy, Fourier Transform Infrared; Quantum Theory; Spectrophotometry, Ultraviolet

Key words

DFT; Fukui function; Methyl 1-methyl-4-nitro-pyrrole-2-carboxylate; Molecular docking; NMR; Ovarian cancer

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Ovarian Neoplasms / Spectrum Analysis, Raman Limits: Female / Humans Language: En Journal: Spectrochim Acta A Mol Biomol Spectrosc Journal subject: BIOLOGIA MOLECULAR Year: 2023 Document type: Article Affiliation country: India

Fulltext

Add to My VHL

XML

PubMed Links

Search on Google