Results 101 to 110 of about 4,185,495 (377)

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

Preparation and characterization of renal cell peptides from fetal rats for their antitumor activity

FEBS Open Bio, EarlyView.
This study aimed to prepare renal cells (RCs) from fetal rats which were digested by enzymes. Candidate peptides RCPs were characterized by capillary HPLC and MS and their bioactivity was predicted using peptideranker. The predicted top 10 bioactive peptides were synthesized.
Zhe Zhang, Yuan Cao, Jing Du, Ying Zhang, Junxia Wang, Ying Yuan, Lianqing Sun   +6 more
wiley   +1 more source

Neck linker docking is critical for Kinesin-1 force generation in cells but at a cost to motor speed and processivity. [PDF]

, 2019
Kinesin force generation involves ATP-induced docking of the neck linker (NL) along the motor core. However, the roles of the proposed steps of NL docking, cover-neck bundle (CNB) and asparagine latch (N-latch) formation, during force generation are ...
Budaitis, Breane G, Grant, Barry J, Jariwala, Shashank, Lang, Matthew J, Reinemann, Dana N, Scarabelli, Guido, Schimert, Kristin I, Sept, David, Verhey, Kristen J   +8 more
core   +1 more source

Predicting the accuracy of protein-ligand docking on homology models [PDF]

, 2010
Ligand-protein docking is increasingly used in Drug Discovery. The initial limitations imposed by a reduced availability of target protein structures have been overcome by the use of theoretical models, especially those derived by homology modeling ...
Bonati, L, Bordogna, A, Pandini, A
core   +1 more source

Demonstrating molecule docking skills through e-module based on blended learning of a la carte model on higher education

JPBI (Jurnal Pendidikan Biologi Indonesia)
Blended learning in higher education is evolving to be more personalized, diverse, innovative, student-centered, and high-quality. It presents an opportunity to redesign and enhance curricula.
Hanum Isfaeni, S. Supriyatin, Reza Mahardika, Mutiara Hasna Putri Suri, Sekar Darmastuti   +4 more
doaj   +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

An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study

Journal of Biomolecular Structure and Dynamics, 2020
A new strain of a novel infectious disease affecting millions of people, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has recently been declared as a pandemic by the World Health Organization (WHO).
Sourav Das, Sharat Sarmah, Sona Lyndem, Atanu Singha Roy   +3 more
semanticscholar   +1 more source

Identification of Natural Inhibitors Against SARS-CoV-2 Drugable Targets Using Molecular Docking, Molecular Dynamics Simulation, and MM-PBSA Approach

Frontiers in Cellular and Infection Microbiology, 2021
The present study explores the SARS-CoV-2 drugable target inhibition efficacy of phytochemicals from Indian medicinal plants using molecular docking, molecular dynamics (MD) simulation, and MM-PBSA analysis.
P. Kushwaha, A. Singh, Tanya Bansal, Akansha Yadav, K. S. Prajapati, M. Shuaib, Shashank Kumar   +6 more
semanticscholar   +1 more source

The E3 ubiquitin ligase, RNF219, suppresses CNOT6L expression to exhibit antiproliferative activity

FEBS Open Bio, EarlyView.
We identified RNF219 as a CCR4‐NOT complex‐interacting E3 ubiquitin ligase that targets the CCR4‐NOT subunit CNOT6L for ubiquitination. RNF219 directly binds to the DUF3819 domain of CNOT1 through its putative α‐helix spanning amino acids 521–542. Our findings also suggest that antiproliferative activity of RNF219 is at least partially mediated by ...
Shou Soeda, Melissa Montrose, Akinori Takahashi, Risa Ishida, Sandrine Burriel, Nao Ohmine, Tohru Natsume, Shungo Adachi, Minsoo Kim, Tadashi Yamamoto   +9 more
wiley   +1 more source

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