Results 101 to 110 of about 74,344 (325)

Estimation of the volume of distribution of some pharmacologically important compounds from their structural descriptor [PDF]

Journal of the Serbian Chemical Society, 2011
Quantitative structure–activity relationship (QSAR) approaches were used to estimate the volume of distribution (Vd) using an artificial neural network (ANN).
MOHAMMAD H. FATEMI, ZAHRA GHORBANNEZHAD
doaj  

A paradigmatic approach to the molecular descriptor computation for some antiviral drugs. [PDF]

Heliyon, 2023
Ghani MU, Imran M, Sampathkumar S, Tchier F, Pattabiraman K, Jan AZ.   +5 more
europepmc   +1 more source

Interplay between circadian and other transcription factors—Implications for cycling transcriptome reprogramming

FEBS Letters, EarlyView.
This perspective highlights emerging insights into how the circadian transcription factor CLOCK:BMAL1 regulates chromatin architecture, cooperates with other transcription factors, and coordinates enhancer dynamics. We propose an updated framework for how circadian transcription factors operate within dynamic and multifactorial chromatin landscapes ...
Xinyu Y. Nie, Jerome S. Menet
wiley   +1 more source

On chemical and mathematical characteristics of generalized degree–based molecular descriptors

AIMS Mathematics
This paper deals with the properties of the generalized Gutman–Milovanović index, generalized elliptic–Sombor index, generalized Zagreb–Sombor index, and general Euler–Sombor index.
Akbar Ali, Ivan Gutman, Boris Furtula, Abeer M. Albalahi, Amjad E. Hamza   +4 more
doaj   +1 more source

Conformational Analysis, Spectroscopic Insights, Chemical Descriptors, ELF, LOL and Molecular Docking Studies of Potential Pyrimidine Derivative with Biological Activities

, 2021
Y. Sheena Mary, Y. Shyma Mary, Goncagül Serdaroğlu, Savaş Kaya, B.K. Sarojini, H. Umamahesvari, B.J. Mohan   +6 more
openalex   +1 more source

Molecular descriptors of benzenoid systems

Química Nova, 2016
Molecular descriptors are being widely used in QSAR/QSPR studies in chemistry and drug designing as well as modeling of compounds. Different topological descriptors have been formulated to investigate the physio chemical properties and chemical reactivity of compounds.
Idrees, Nazeran, Naeem, Muhammad Nawaz, Hussain, Fida, Sadiq, Afshan, Siddiqui, Muhammad Kamran   +4 more
openaire   +4 more sources

Real‐time assay of ribonucleotide reductase activity with a fluorescent RNA aptamer

FEBS Letters, EarlyView.
Ribonucleotide reductases (RNR) synthesize DNA building blocks de novo, making them crucial in DNA replication and drug targeting. FLARE introduces the first single‐tube real‐time coupled RNR assay, which enables isothermal tracking of RNR activity at nanomolar enzyme levels and allows the reconstruction of allosteric regulatory patterns and rapid ...
Jacopo De Capitani, Noemi E. Nwosu, Viktoria Gocke, Müge Kasanmascheff, Hannes Mutschler   +4 more
wiley   +1 more source

Disordered but rhythmic—the role of intrinsic protein disorder in eukaryotic circadian timing

FEBS Letters, EarlyView.
Unstructured domains known as intrinsically disordered regions (IDRs) are present in nearly every part of the eukaryotic core circadian oscillator. IDRs enable many diverse inter‐ and intramolecular interactions that support clock function. IDR conformations are highly tunable by post‐translational modifications and environmental conditions, which ...
Emery T. Usher, Jacqueline F. Pelham
wiley   +1 more source

Protein pyrophosphorylation by inositol pyrophosphates — detection, function, and regulation

FEBS Letters, EarlyView.
Protein pyrophosphorylation is an unusual signaling mechanism that was discovered two decades ago. It can be driven by inositol pyrophosphate messengers and influences various cellular processes. Herein, we summarize the research progress and challenges of this field, covering pathways found to be regulated by this posttranslational modification as ...
Sarah Lampe, Tanmay Kumar Mohanty, Rashna Bhandari, Dorothea Fiedler   +3 more
wiley   +1 more source

A Machine Learning Approach for Predicting Caco-2 Cell Permeability in Natural Products from the Biodiversity in Peru

Pharmaceuticals
Background: Peru is one of the most biodiverse countries in the world, which is reflected in its wealth of knowledge about medicinal plants. However, there is a lack of information regarding intestinal absorption and the permeability of natural products.
Victor Acuña-Guzman, María E. Montoya-Alfaro, Luisa P. Negrón-Ballarte, Christian Solis-Calero   +3 more
doaj   +1 more source