Results 21 to 30 of about 185,227,745 (225)

Corrigendum to ‘Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4′-dimethyl-2,2′-bipyridyl as α-glucosidase inhibitors’ [Journal of Molecular Structure 1205 (2020) 127655]

Journal of Molecular Structure, 2021
Öz bulunamadı.
Avci, Davut, Alturk, Sumeyye, Sonmez, Fatih, Tamer, Omer, Basoglu, Adil, Atalay, Yusuf, Kurt, Belma Zengin   +6 more
openaire   +2 more sources

In Silico Study for Similar FDA Approved Drugs as Inhibitors of SARS-CoV-2 Spike and the Host Receptor Proteins

Journal of Molecular Docking, 2021
The severe acute respiratory syndrome coronavirus 2, known as COVID-19, has been hideously increased worldwide. The disease began in Wuhan, China, around December 2019, then spread to most countries.
Israa Mohamed Shamkh, Dina Pratiwi, Hanaa S. Omar, Nour El-Houda A. Reyad   +3 more
doaj   +1 more source

Enhancement of The Stability of Human Growth Hormone by Using Tris(hydroxymethyl)aminomethane: Molecular Docking and Experimental Analysis [PDF]

Cell Journal, 2021
Objective: It is so difficult to formulate human growth hormone (hGH) in a solution with high stability and new drug delivery system (NDDs) due to physiochemical instability. The purpose of this study was to investigate the possibility of using Tris as
Siyavash Mirzaei, Hamid Mobedi, Hamid Gourabi, Mohammad Hosein Sanati, Sakine Khezli, Hamid Omidian, Masoume Ighaeie   +6 more
doaj   +1 more source

New Approach to create an Effective Natural Treatments of Infections caused by Human Papillomavirus

Journal of Molecular Docking, 2021
Human Papillomavirus (HPV) has a double-stranded DNA (dsDNA) genome. Infections, mainly sexually transmitted, usually resolve spontaneously. However, if the infection persists over time, lesions of the skin and mucous membranes tend to appear, notably ...
Momir Dunjic, Stefano Giuseppe Turini, Slavisa Stanisic, Nenad Sulovic, Sasa Cvetkovic, Dejan Mihajlovic, Marija Dunjic, Dusan Simic, Katarina Dunjic   +8 more
doaj   +1 more source

Molecular Docking Studies of Phytoconstituents Identified in Traditional Siddha Polyherbal Formulations Against Possible Targets of SARS-CoV-2

Journal of Molecular Docking, 2021
The Indian Traditional Medicines System has long used Siddha polyherbal formulations for different viral diseases. The ingredients of these formulas have been proven to be antiviral.
Logesh Kumar Selvaraj, Geethanjali Thayumanavan, Srikanth Jeyabalan, Sugin Lal Jabaris   +3 more
doaj   +1 more source

Synergistic Application of Molecular Docking and Machine Learning for Improved Protein-Ligand Binding Pose Prediction [PDF]

, 2023
Accurate prediction of protein-ligand complex structures is a crucial step in structure-based drug design. Traditional molecular docking methods exhibit limitations in terms of accuracy and sampling space, while relying on machine-learning approaches may
Yannan, Yuan, Hang, Zheng, Yaqi, Li, Hongrui, Lin, Rongfeng, Zou, Linfeng, Zhang, Gengmo, Zhou, He, Yang   +7 more
core   +1 more source

Suitable Docking Protocol for the Design of Novel Coumarin Derivatives with Selective MAO-B Effects

Journal of Molecular Docking, 2021
Recently, the application of molecular docking is drastically increasing due to the rapid growth of resolved crystallographic receptors with co-crystallized ligands. However, the inability of docking softwares to correctly score the occurred interactions
Emilio Viktorov Mateev, Iva Valkova, Maya Georgieva, Alexander Zlatkov   +3 more
doaj   +1 more source

Corrigendum to ‘Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, α-glucosidase inhibition, DFT calculations, and molecular docking’ [Journal of Molecular Structure 1197 (2019) 645-655]

Journal of Molecular Structure, 2021
Öz bulunamadı.
Avci, Davut, Alturk, Sumeyye, Sonmez, Fatih, Tamer, Omer, Basogulu, Adil, Atalay, Yusuf, Kurt, Belma Zengin, Dege, Necmi   +7 more
openaire   +2 more sources

Molecular Docking Screening and Pharmacokinetic Studies of Some Boron-Pleuromutilin Analogues against Possible Targets of Wolbachia pipientis

Journal of Molecular Docking, 2022
Lymphatic filariasis and onchocerciasis are two common filarial diseases caused by a group of parasitic nematodes called filarial worms, which co-habit with the bacteria organism Wolbachia.
Fabian Audu Ugbe, Gideon Adamu Shallangwa, Adamu Uzairu, Ibrahim Abdulkadir   +3 more
doaj   +1 more source

Identification of Potential Herbal Inhibitor of Acetylcholinesterase Associated Alzheimer’s Disorders Using Molecular Docking and Molecular Dynamics Simulation [PDF]

, 2014
Cholinesterase inhibitors (ChE-Is) are the standard for the therapy of AD associated disorders and are the only class of approved drugs by the Food and Drug Administration (FDA).
Kuldeep Uchadia, Uchadia, Kuldeep, Chandrabhan Seniya, Ghulam Jilani Khan, Seniya, Chandrabhan, Khan, Ghulam Jilani   +5 more
core   +1 more source