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Synthesis and Structural Analysis of a Novel Stable Quinoline Dicarbamic Acid: X-Ray Single Crystal Structure of (2-((4-((2-(Carboxy(methyl)amino)ethoxy)carbonyl) quinoline-2-yl)oxy) ethyl) (methyl)-carbamic Acid and Molecular Docking Assessments to Test Its Inhibitory Potential against SARS-CoV-2 Main Protease
Synthesis and Structural Analysis of a Novel Stable Quinoline Dicarbamic Acid: X-Ray Single Crystal Structure of (2-((4-((2-(Carboxy(methyl)amino)ethoxy)carbonyl) quinoline-2-yl)oxy) ethyl) (methyl)-carbamic Acid and Molecular Docking Assessments to Test Its Inhibitory Potential against SARS-CoV-2 Main Protease

Ahmed Selmi; Armin Zarei; Wafa Tachoua; Horst Puschmann; Hakimeh Teymourinia; Ali Ramazani

Volume 6, Issue 6 , June 2022, , Pages 463-474

http://dx.doi.org/10.22034/chemm.2022.335353.1462

Abstract
  The crystal structure of quinoline derivative with empirical formula (C18H21N3O7) was determined using single crystal X-ray diffraction, which belongs to the monoclinic system with ...  Read More
Synthesis, Biological Evaluations and Molecular Docking of Novel Pyrazolyl, Dihydro-1H-inden-1-one Derivatives
Synthesis, Biological Evaluations and Molecular Docking of Novel Pyrazolyl, Dihydro-1H-inden-1-one Derivatives

Ashok P. Acharya; Milind V. Gaikwad; Bhaskar S. Dawane

Volume 6, Issue 4 , April 2022, , Pages 339-346

http://dx.doi.org/10.22034/chemm.2022.329102.1441

Abstract
  A series of novel pyrazol-4-yl- dihydro-1H-inden-1-one derivatives were synthesized by using greener catalyst pH 12.5 (Bleaching earth clay BEC) as an efficient catalytic and PEG-400 ...  Read More
Molecular Structure Determination and Stability Parameters Study of 99mTc-MDP (Technetium 99m Methylene Diphosphonate) Cold Kit and Analysis of Its Binding to Osteocalcin Receptor as a Bone Scan Agent
Molecular Structure Determination and Stability Parameters Study of 99mTc-MDP (Technetium 99m Methylene Diphosphonate) Cold Kit and Analysis of Its Binding to Osteocalcin Receptor as a Bone Scan Agent

Mehdi Nabati; Hamideh Sabahnoo; Vida Bodaghi-Namileh

Volume 4, Issue 3 , May and June 2020, , Pages 297-310

http://dx.doi.org/10.33945/SAMI/CHEMM/2020.3.7

Abstract
  This work evaluates the stability of tecnethium-99m methylene diphosphonate (99mTc-MDP) radiopharmaceutical and identifying its precise molecular structures and analyzing their binding ...  Read More
In Silico Study of Metoclopramide as A Small Molecule of Dopamine D2 Receptor: a Quantum-Mechanical (QM) Based Molecular Docking Treatment
In Silico Study of Metoclopramide as A Small Molecule of Dopamine D2 Receptor: a Quantum-Mechanical (QM) Based Molecular Docking Treatment

Mehdi Nabati; Elaheh Lohrasbi; Hamideh Sabahnoo; Vida Bodaghi-Namileh; Mohammad Mazidi; Hossein Mohammadnejad-Mehrabani; Abdolnaser Tavakkoli; Afshar Gervand

Volume 4, Issue 1 , January and February 2020, , Pages 19-33

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.2

Abstract
  The present research exploration will contain studying the molecular structure, bonds nature, stability, reactivity and electronic properties of the title molecule.The molecular optimization ...  Read More
Structural Properties Study and Spectroscopic (FT-IR and UV-Vis) Profiling of the Novel Antagonist LY2157299 as a Transforming Growth Factor-β (TGF-β) Receptor I Kinase Inhibitor by Quantum-mechanical (QM) and Molecular Docking Techniques
Structural Properties Study and Spectroscopic (FT-IR and UV-Vis) Profiling of the Novel Antagonist LY2157299 as a Transforming Growth Factor-β (TGF-β) Receptor I Kinase Inhibitor by Quantum-mechanical (QM) and Molecular Docking Techniques

Mehdi Nabati; Hamideh Sabahnoo; Elaheh Lohrasbi; Mohammad Mazidi

Volume 3, Issue 3 , May and June 2019, , Pages 377-391

http://dx.doi.org/10.22034/chemm.2018.149646.1093

Abstract
  During the present study, the structural, vibrational, electronic and biological properties of the novel antagonist LY2157299 as a transforming growth factor-β (TGF-β) receptor ...  Read More