Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino)piperidine

Synthesis of Piperidine Conjugated Dihydroquinazolin-4(1H)-ones and their Antiproliferative Activity, Molecular Docking Studies and DFT Calculations

(2020) Kereyagalahally Honneshappa Narasimhamurthy et al.   Letters in Drug Design & Discovery

Synthesis, quantum chemical study, AIM simulation, in silico ADMET profile analysis, molecular docking and antioxidant activity assessment of aminofuran derivatives

(2019) Iqbal Azad et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular structure and hydrogen bond interactions of a paracetamol–4,4′-bipyridine cocrystal studied using a vibrational spectroscopic and quantum chemical approach

(2018) Karnica Srivastava et al.   CRYSTENGCOMM

Efficacy of tivozanib treatment after sorafenib in patients with advanced renal cell carcinoma: crossover of a phase 3 study

(2018) Ana M. Molina et al.   EUROPEAN JOURNAL OF CANCER

Spectroscopic investigation, hirshfeld surface analysis and molecular docking studies on anti-viral drug entecavir

(2018) B. Fathima Rizwana et al.   JOURNAL OF MOLECULAR STRUCTURE

Recent advancement of piperidine moiety in treatment of cancer- A review

(2018) Pallavi Goel et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

VEGF as a potential target in lung cancer

(2017) Daniela Frezzetti et al.   EXPERT OPINION ON THERAPEUTIC TARGETS

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide

(2017) M. Raja et al.   JOURNAL OF MOLECULAR STRUCTURE

Increasing the binding affinity of VEGFR-2 inhibitors by extending their hydrophobic interaction with the active site: Design, synthesis and biological evaluation of 1-substituted-4-(4-methoxybenzyl)phthalazine derivatives

(2016) Wagdy M. Eldehna et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Lessons From Anti–Vascular Endothelial Growth Factor and Anti–Vascular Endothelial Growth Factor Receptor Trials in Patients With Glioblastoma

(2015) Christine Lu-Emerson et al.   JOURNAL OF CLINICAL ONCOLOGY

Heterocyclic Anticancer Compounds: Recent Advances and the Paradigm Shift towards the Use of Nanomedicine’s Tool Box

(2015) Pedro Martins et al.   MOLECULES

Expression and prognostic significance of VEGFR-2 in breast cancer

(2015) Ji-Dong Yan et al.   PATHOLOGY RESEARCH AND PRACTICE

Spectroscopic investigation (FTIR spectrum), NBO, HOMO–LUMO energies, NLO and thermodynamic properties of 8-Methyl-N-vanillyl-6-nonenamideby DFT methods

(2015) J. Sherin Percy Prema Leela et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Molecular structure analysis and spectroscopic characterization of 9-methoxy-2H-furo[3,2-g]chromen-2-one with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

(2015) N. Swarnalatha et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Phase I/IIa study evaluating the safety, efficacy, pharmacokinetics, and pharmacodynamics of lucitanib in advanced solid tumors

(2014) J.- C. Soria et al.   ANNALS OF ONCOLOGY

IR, 1H NMR and DFT studies of novel bis-Betti base derivatives of 2,6-dihydroxynaphthalene: Thermodynamic control of diastereoselectivity and configurational preference

(2014) Mehdi Zamani et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular structure, vibrational spectra (FTIR and FT Raman) and natural bond orbital analysis of 4-Aminomethylpiperidine: DFT study

(2014) G. Mahalakshmi et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

FTIR and Raman spectra, electronic spectra and normal coordinate analysis of N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine by DFT method

(2014) S. Renuga et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods

(2013) E. Isac Paulraj et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Molecular structural, non-linear optical, second order perturbation and Fukui studies of Indole-3-Aldehyde using density functional calculations

(2013) S. Muthu et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods

(2013) T. Rajamani et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Molecular structure, normal coordinate analysis, harmonic vibrational frequencies, NBO, HOMO–LUMO analysis and detonation properties of (S)-2-(2-oxopyrrolidin-1-yl) butanamide by density functional methods

(2013) S. Renuga et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

VEGFA-VEGFR Pathway Blockade Inhibits Tumor-Induced Regulatory T-cell Proliferation in Colorectal Cancer

(2012) M. Terme et al.   CANCER RESEARCH

Synthesis, X-ray structural, characterization, NBO and HOMO–LUMO analysis using DFT study of 4-methyl-N-(naphthalene-1-yl)benzene sulfonamide

(2012) K. Sarojini et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Vascular endothelial growth factors and receptors: Anti-angiogenic therapy in the treatment of cancer

(2011) Sònia Tugues et al.   MOLECULAR ASPECTS OF MEDICINE

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Vibrational spectra and molecular structure of 3-(piperidine-1-yl-methyl)-1,3-benzoxazol-2(3H)-one molecule by density functional theory and Hartree–Fock calculations

(2009) Erol Taşal et al.   JOURNAL OF MOLECULAR STRUCTURE

Theoretical and vibrational spectral investigation of sodium salt of acenocoumarol

(2009) I. Hubert Joe et al.   JOURNAL OF RAMAN SPECTROSCOPY

tert-Butyl 4-carbamoyl-3-methoxyimino-4-methylpiperidine-1-carboxylate

(2008) Juxian Wang et al.   ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

Localized-orbital locator (LOL) profiles of chemical bonding

(2008) Heiko Jacobsen   CANADIAN JOURNAL OF CHEMISTRY

Synthesis of pharmaceutically active compounds containing a disubstituted piperidine framework

(2007) Sara Källström et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Vibrational spectroscopy investigation using ab initio and density functional theory on p-anisaldehyde

(2007) S. Gunasekaran et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY