Results 71 to 80 of about 15,517 (273)

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Tandem Duplication‐Driven Neofunctionalization of UDP‐Glycosyltransferases Shapes the Diversification of Triterpenoid Saponins in the Cucurbitaceae

Advanced Science, EarlyView.
We present a chromosome‐level genome assembly of Siraitia grosvenorii and, through comparative genomics, uncover a conserved UGT73 tandem array driving triterpenoid saponin diversification in Cucurbitaceae. Crystalized SgUGT73AM30 further reveals the regioselectivity mechanism underlying its catalytic activity.
Guangyi Wang, Mengmeng Li, Xuehui Dai, Yanchen Zhang, Yuhan Wu, Zhaotao Yan, Chenfei Tian, Hongkai Fan, Haili Liu, Xiaowei Zhang, Yiming Yang, Jiayu Lu, Yuwei Sun, Yong Wang   +13 more
wiley   +1 more source

Chemical Variation and Implications on Repellency Activity of Tephrosia vogelii (Hook f.) Essential Oils Against Sitophilus zeamais Motschulsky

Agriculture, 2020
The aim of this research is to characterize the variation in the chemical composition of Tephrosia vogelii essential oils from different locations and to investigate the repellency of essential oils against Sitophilus zeamais. Chemical variability in the
Nasifu Kerebba, Adebola O. Oyedeji, Robert Byamukama, Simon K. Kuria, Opeoluwa O. Oyedeji   +4 more
doaj   +1 more source

Chemotypic Characterization and Biological Activity of Rosmarinus officinalis [PDF]

Foods, 2017
Rosemary (Rosmarinus officinalis L.) is a popular herb in cooking, traditional healing, and aromatherapy. The essential oils of R. officinalis were obtained from plants growing in Victoria (Australia), Alabama (USA), Western Cape (South Africa), Kenya, Nepal, and Yemen. Chemical compositions of the rosemary oils were analyzed by gas chromatography-mass
Prabodh Satyal, Tyler Jones, Elizabeth Lopez, Robert McFeeters, Nasser Ali, Iman Mansi, Ali Al-kaf, William Setzer   +7 more
openaire   +3 more sources

Influences of chemotype and parental genotype on metabolic fingerprints of tansy plants uncovered by predictive metabolomics

Scientific Reports, 2023
Intraspecific plant chemodiversity shapes plant-environment interactions. Within species, chemotypes can be defined according to variation in dominant specialised metabolites belonging to certain classes.
Thomas Dussarrat, Rabea Schweiger, Dominik Ziaja, Thuan T. N. Nguyen, Liv Krause, Ruth Jakobs, Elisabeth J. Eilers, Caroline Müller   +7 more
doaj   +1 more source

Quantum Phenomena in Molecular and Biological Systems: A Decoherence‐Based Decision Framework With Falsifiable Predictions and a Failure‐Mode Taxonomy

Advanced Physics Research, EarlyView.
A physics‐grounded framework based on decoherence timescales (τ_dec vs τ_func), Markovian validity, and falsifiability criteria is applied across molecular systems to distinguish where quantum effects are necessary, marginal, or irrelevant. The analysis integrates quantum chemistry, biological quantum mechanisms, and quantum computing under a unified ...
Sarfaraz K. Niazi
wiley   +1 more source

Solanum habrochaites subsp. chemotypes S. Knapp & D. M. Spooner

, 2020
2.2. Identification of S. habrochaites chemotypes affecting longevity and fecundity of aphids As a first step to characterize the potential of the different S. habrochaites chemotypes to affect M.
Park, Yong-Lak, Gutensohn, Michael, Wang, Fumin   +2 more
core   +1 more source

Discovery of CRBN‐based molecular glue degraders targeting WIZ transcription factor

Bulletin of the Korean Chemical Society, EarlyView.
This work reports the discovery of 9l, a novel cereblon‐based molecular glue degrader which targets the WIZ transcription factor. Compound 9l facilitates WIZ‐CRBN ternary complex formation to degrade WIZ, subsequently inducing γ‐globin expression in HUDEP‐2 cells and highlighting its potential as a sickle cell disease therapy.
Tae‐Jun Kim, Seongu Seong, Jung‐Ae Kim, Taeyeon Kwon, Hyun Jin Kim, Jeong‐Hoon Kim, Jong Yeon Hwang, Jin Hwa Cho, Kyoungmin Choi   +8 more
wiley   +1 more source

Diversity of Sweet Basil Accessions from Croatian National Plant Gene Bank Based on Amplified Fragment Length Polymorphism Markers

Agronomy
This study investigates genetic diversity among five morphotypes and five chemotypes of Ocimum basilicum L. (sweet basil) using amplified fragment length polymorphism (AFLP) markers.
Filip Varga, Monika Vidak, Zlatko Liber, Klaudija Carović-Stanko, Zlatko Šatović   +4 more
doaj   +1 more source

Precision Chemistry for Protein Lysine Modification

Chemistry – A European Journal, EarlyView.
Selective modification of lysine residues is challenging due to their similar intrinsic reactivity. Inspired by enzymatic recognition, ligand‐guided electrophiles enable site‐selective labeling and functionalization, while ligand‐guided catalyses achieve regioselective installation of bio‐relevant post‐translational modifications.
Mayu Onoda, Motomu Kanai
wiley   +1 more source