Design, synthesis, pharmacological and in silico screening of disubstituted-piperazine derivatives as selective and reversible MAO-A inhibitors for treatment of depression

[1]  B. Kumar,et al.  Design, Synthesis, and Pharmacological Evaluation of N-Propargylated Diphenylpyrimidines as Multitarget Directed Ligands for the Treatment of Alzheimer's Disease. , 2022, ACS chemical neuroscience.

[2]  C. Yamali,et al.  Quinazolinone-based benzenesulfonamides with low toxicity and high affinity as monoamine oxidase-A inhibitors: Synthesis, biological evaluation and induced-fit docking studies. , 2022, Bioorganic chemistry.

[3]  D. Kaur,et al.  Investigation of Indole‐3‐piperazinyl Derivatives as Potential Antidepressants: Design, Synthesis, In‐Vitro, In‐Vivo and In‐Silico Analysis , 2021, ChemistrySelect.

[4]  P. Singh,et al.  Investigation of indole functionalized pyrazoles and oxadiazoles as anti-inflammatory agents: Synthesis, in-vivo, in-vitro and in-silico analysis. , 2021, Bioorganic chemistry.

[5]  P. Singh,et al.  Piperazine, a Key Substructure for Antidepressants: Its Role in Developments and Structure‐Activity Relationships , 2021, ChemMedChem.

[6]  Anoop Kumar,et al.  HeroMDAnalysis: an automagical tool for GROMACS-based molecular dynamics simulation analysis. , 2021, Future medicinal chemistry.

[7]  J. Mavri,et al.  An electrostatic duel: subtle differences in catalytic performance of monoamine oxidase A and B isoenzymes elucidated at a residue level by quantum computations , 2021, Physical Chemistry, Chemical Physics - PCCP.

[8]  D. Rakus,et al.  GSK3β: A Master Player in Depressive Disorder Pathogenesis and Treatment Responsiveness , 2020, Cells.

[9]  Anoop Kumar,et al.  Computational identification of natural product leads that inhibit mast cell chymase: an exclusive plausible treatment for Japanese encephalitis , 2020, Journal of biomolecular structure & dynamics.

[10]  Ricky B. Nellas,et al.  Potential Inhibitors of Galactofuranosyltransferase 2 (GlfT2): Molecular Docking, 3D-QSAR, and In Silico ADMETox Studies , 2019, Scientific Reports.

[11]  J. Parkash,et al.  Dipropargyl substituted diphenylpyrimidines as dual inhibitors of monoamine oxidase and acetylcholinesterase. , 2019, European journal of medicinal chemistry.

[12]  Y. Sari,et al.  SAR and molecular mechanism studies of monoamine oxidase inhibition by selected chalcone analogs , 2019, Journal of enzyme inhibition and medicinal chemistry.

[13]  Sairam Krishnamurthy,et al.  4,6-Diphenylpyrimidine Derivatives as Dual Inhibitors of Monoamine Oxidase and Acetylcholinesterase for the Treatment of Alzheimer's Disease. , 2018, ACS chemical neuroscience.

[14]  E. A. Costa,et al.  Piperazine derivatives with central pharmacological activity used as therapeutic tools , 2018, Fundamental & clinical pharmacology.

[15]  M. Youdim Monoamine oxidase inhibitors, and iron chelators in depressive illness and neurodegenerative diseases , 2018, Journal of Neural Transmission.

[16]  B. Kumar,et al.  Synthesis and biological evaluation of pyrimidine bridged combretastatin derivatives as potential anticancer agents and mechanistic studies. , 2018, Bioorganic chemistry.

[17]  L. Saso,et al.  In vitro antioxidant activity of thiazolidinone derivatives of 1,3-thiazole and 1,3,4-thiadiazole. , 2018, Chemico-biological interactions.

[18]  Mohit Kumar,et al.  Synthesis, Biological Evaluation and Molecular Modeling Studies of Propargyl‐Containing 2,4,6‐Trisubstituted Pyrimidine Derivatives as Potential Anti‐Parkinson Agents , 2018, ChemMedChem.

[19]  Sheetal,et al.  Synthesis, biological evaluation and molecular modeling studies of phenyl-/benzhydrylpiperazine derivatives as potential MAO inhibitors. , 2018, Bioorganic chemistry.

[20]  Nidhi Singh,et al.  Novel aryl piperazines for alleviation of 'andropause' associated prostatic disorders and depression. , 2017, European journal of medicinal chemistry.

[21]  M. Sova,et al.  Dual inhibitors of cholinesterases and monoamine oxidases for Alzheimer's disease. , 2017, Future medicinal chemistry.

[22]  Olivier Michielin,et al.  SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules , 2017, Scientific Reports.

[23]  B. Kumar,et al.  A Perspective on Monoamine Oxidase Enzyme as Drug Target: Challenges and Opportunities. , 2016, Current drug targets.

[24]  J. Joubert,et al.  Design, synthesis, biological evaluation and docking studies of sulfonyl isatin derivatives as monoamine oxidase and caspase-3 inhibitors , 2016 .

[25]  Vincent Zoete,et al.  A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules , 2016, ChemMedChem.

[26]  Sheetal,et al.  Recent developments on the structure–activity relationship studies of MAO inhibitors and their role in different neurological disorders , 2016 .

[27]  J. Payne,et al.  Management of psychotropic drugs during pregnancy , 2016, BMJ : British Medical Journal.

[28]  D. Tracy,et al.  Legal highs: staying on top of the flood of novel psychoactive substances , 2015, Therapeutic advances in psychopharmacology.

[29]  A. Waszkielewicz,et al.  Antidepressant-like activity of a new piperazine derivative of xanthone in the forced swim test in mice: The involvement of serotonergic system , 2015, Pharmacological reports : PR.

[30]  K. Schaich,et al.  Re-evaluation of the 2,2-diphenyl-1-picrylhydrazyl free radical (DPPH) assay for antioxidant activity. , 2014, Journal of agricultural and food chemistry.

[31]  F. Pettersson,et al.  Synthesis, pharmacological evaluation and QSAR modeling of mono-substituted 4-phenylpiperidines and 4-phenylpiperazines. , 2013, European journal of medicinal chemistry.

[32]  R. Ramsay Monoamine oxidases: the biochemistry of the proteins as targets in medicinal chemistry and drug discovery. , 2012, Current topics in medicinal chemistry.

[33]  F. Pettersson,et al.  Synthesis and evaluation of a set of para-substituted 4-phenylpiperidines and 4-phenylpiperazines as monoamine oxidase (MAO) inhibitors. , 2012, Journal of medicinal chemistry.

[34]  J. Zou,et al.  Quantitative structure-activity relationship analysis of aryl alkanol piperazine derivatives with antidepressant activities. , 2009, European journal of medicinal chemistry.

[35]  M. Youdim,et al.  Novel multifunctional neuroprotective iron chelator‐monoamine oxidase inhibitor drugs for neurodegenerative diseases: in vitro studies on antioxidant activity, prevention of lipid peroxide formation and monoamine oxidase inhibition , 2005, Journal of neurochemistry.

[36]  Andrea Mattevi,et al.  Three-dimensional structure of human monoamine oxidase A (MAO A): relation to the structures of rat MAO A and human MAO B. , 2005, Proceedings of the National Academy of Sciences of the United States of America.

[37]  R. Araya-Maturana,et al.  Synthesis of 4‐Arylpiperazine Derivatives of Moclobemide: Potential Antidepressants with a Dual Mode of Action , 2004 .

[38]  B. Thierry,et al.  The tail suspension test: A new method for screening antidepressants in mice , 2004, Psychopharmacology.

[39]  Andy Vaught,et al.  Graphing with Gnuplot and Xmgr: Two graphing packages available under Linux , 1996 .

[40]  K Schulten,et al.  VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.

[41]  A. Rush,et al.  MAOIs in the Contemporary Treatment of Depression , 1995, Neuropsychopharmacology.

[42]  D Vanderspoel,et al.  GROMACS - A PARALLEL COMPUTER FOR MOLECULAR-DYNAMICS SIMULATIONS , 1993 .

[43]  A. J. Cooper Tyramine and Irreversible Monoamine Oxidase Inhibitors in Clinical Practice , 1989, British Journal of Psychiatry.