Understanding the conformational, electronic and vibrational properties of Tetrahydrocannabinol (THC) and Cannabidiol (CBD). Pharmacophoric similarities and differences
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Goran Baranović (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - July 1, 2021 Category: Molecular Biology Source Type: research

Fluorine-containing 2,3-diaryl quinolines as potent inhibitors of methicillin and vancomycin-resistant Staphylococcus aureus: Synthesis, antibacterial activity and molecular docking studies
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Shashi Janeoo, Harminder Kaur, Grace Kaul, Abdul Akhir, Sidharth Chopra, Shaibal Banerjee, Reenu, Varinder Kumar, Rakesh Kumar (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - July 1, 2021 Category: Molecular Biology Source Type: research

A new nanosized host-guest supramolecular coordination polymer based on copper cyanide network and 1,7-diaminoheptane: Comparative structure study and catalytic activity
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Safaa N. Abdou, Safaa Eldin H. Etaiw, Gaber A.M. Mersal (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - July 1, 2021 Category: Molecular Biology Source Type: research

DFT, Molecular Docking and Drug-likeness Analysis: Acrylate molecule bearing perfluorinated pendant unit
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): U. Soykan, Y. Sert, G. Yıldırım (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - July 1, 2021 Category: Molecular Biology Source Type: research

Evaluation of chloroquine and hydroxychloroquine as ACE-2 Inhibitors By In Silico Approaches: Cardiac Arrhythmia Cause?
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Thayná Rocco Machado, Mariana Martinelli Junqueira Ribeiro, Ana Carolina Rennó Sodero, Thaisa Francielle Souza Domingos, Rebeca Rapozo, Dailane Candido de Paula, Alessandra Silva Domingos, Carlos Rangel Rodrigues, Lucio Mendes Cabral, Alessandra Mendonça Teles de Souza, Bárbara de Azevedo Abrahim-Vieira (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - July 1, 2021 Category: Molecular Biology Source Type: research

Electrochemical and theoretical studies on the corrosion inhibition performance of some synthesized d-Limonene based heterocyclic compounds
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Mourad Fawzi, Yassine Laamari, Yassine Koumya, Ali Oubella, Abdelouahed Auhmani, Moulay Youssef Ait Itto, Abdesselam Abouelfida, Abdelkhalek Riahi, Aziz Auhmani (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - July 1, 2021 Category: Molecular Biology Source Type: research

Vinylene-versus azomethine-bridged carbazole-based polymers for light emission and sensor applications
Publication date: Available online 29 June 2021Source: Journal of Molecular StructureAuthor(s): Achref Jebnouni, Nicolas Leclerc, Safa Teka, Dorsaf Mansour, Nejmeddine Smida Jaballah (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 29, 2021 Category: Molecular Biology Source Type: research

4,4,4-trifluoro-1-phenylbutane-1,3-dione metal [Cu(II) and Ni(II)] complexes as an superlative antibacterial agent against MRSA: Synthesis, structural quantum-chemical and molecular docking studies
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): M.K. Hema, C.S. Karthik, Mahesha, K.J. Pampa, P. Mallu, N.K. Lokanath (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 29, 2021 Category: Molecular Biology Source Type: research

Two new 2D Cd(II) coordination polymers as luminescent chemosensors for detection of acetylacetone and Fe3+ ions
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Ming-Yue Wen, Sheng-Chun Wang, Dong Liu, Gui-Ying Dong (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 29, 2021 Category: Molecular Biology Source Type: research

Study of optical properties of gold nanoparticles embedded in normal, benign, and malignant breast tissues
Publication date: Available online 28 June 2021Source: Journal of Molecular StructureAuthor(s): A. Akouibaa, R. Masrour, A. Jabar, M. Benhamou, A. Derouiche (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research

Chemical synthesis, in vitro biological evaluation and theoretical investigations of transition metal complexes derived from 2-(((5-mercapto-1H-pyrrol-2-yl)imino) methyl)6-methoxyphenol
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Honnalagere Mariswamy Vinusha, Shiva Prasad Kollur, Muneera Begum, Chandan Shivamallu, Ramith Ramu, Prithvi S. Shirahatti, Nagendra Prasad, Ravindra Veerapur, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research

Synthesis and study of organoselenium compound: DNA/Protein interactions, in vitro antibacterial, antioxidant, anti-inflammatory activities and anticancer activity against carcinoma cells
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Divyesh S. Shelar, Pratik P. Dhavan, Pinky R. Singh, Bhaskar L. Jadhav, Shashikant P. Vaidya, Sudesh T. Manjare (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research

Novel Isoxazolone Based Azo Dyes: Synthesis, Characterization, Computational, Solvatochromic UV-Vis Absorption and Biological Studies
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Manjunatha B, Yadav D. Bodke, Sandeep kumar Jain R, Lohith T. N, Sridhar M. A (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research

Optical and NLO properties of zigzag carbon nanobelt compounds
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Lijing Gong, Cheng Ma, Jian Zhang, Xiangyu Zhang, Kun Jin (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research

Mono- and binuclear Cu (II) 3,5-diiodosalicylates: Structures and features of non-covalent interactions in crystalline state
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Mikhail A. Bondarenko, Alexander S. Novikov, Taisiya S. Sukhikh, Ilya V. Korolkov, Maxim N. Sokolov, Sergey A. Adonin (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research