Mechanistic insights into pyrethroid binding: conformational and functional effects of deltamethrin on lysozyme [0.03%]
高效氯氟氰菊酯与溶菌酶结合的机理研究：高效氯氟氰菊酯对溶菌酶构象及功能的影响
Afnaan Qureshi,Sakhaviya,Suhel Parvez et al.
Afnaan Qureshi et al.
Deltamethrin, a pyrethroid pesticide considered low to moderately toxic, may pose risks even at low exposure levels. However, its effects on human proteins remain poorly understood. In this study, we investigated the interaction between del...
Active site groove volume may influence the DD-carboxypeptidase activity of E. coli DacD [0.03%]
活性位点凹槽体积可能影响大肠杆菌DacD的DD-羧肽酶活性
Ananya Anurag Anand,Anindya Sundar Ghosh,Sintu Kumar Samanta et al.
Ananya Anurag Anand et al.
DacD is an enzyme that belongs to the DD-carboxypeptidase family that remove the terminal D-alanine from the peptidoglycan precursor in bacterial cell walls. However, even though it performs this same kind of reaction, its enzymatic efficie...
Modelling the structure of Lsi2, Lsi3, Lsi6 proteins and their role in the intercellular trafficking of silicon from root to shoot in rice [0.03%]
Lsi2、Lsi3和Lsi6蛋白结构建模及其在水稻根系向地上部硅转运中的作用分析
Nadir Sepay,Argha Chakraborty,Nayim Sepay et al.
Nadir Sepay et al.
Opaline silica bodies (phytoliths) are found in plants, particularly grasses, and primarily contribute to plant strength and protection. They form from silicic acid, which is transported from the soil to the leaves - a process that is still...
Rational design of novel α-amylase inhibitor peptide derived from quinoa seed peptide with in silico approaches [0.03%]
基于模拟方法的新型藜属种子肽α-淀粉酶抑制剂理性设计
Rachmannisa Amalia Putri,Ahmad Habibie,Tendy Oktriawan et al.
Rachmannisa Amalia Putri et al.
Diabetes mellitus (DM) has become a global concern that is responsible for millions of deaths in the world. One alternative to combat diabetes is to inhibit α-amylase with a generally non-toxic peptide. Quinoa has been recognized as a sour...
Evolutionary diversity and structural dynamics of the outer membrane protein Ail in Yersinia [0.03%]
耶尔森氏菌外膜蛋白Ail的进化多样性及结构动态性研究
Jesper J Madsen,Angelina A Kislichkina,Svetlana V Dentovskaya et al.
Jesper J Madsen et al.
Yersinia pestis Ail (attachment invasion locus protein) is an outer membrane β-barrel made up of a cylindrical, anti-parallel β-sheet with a hydrophobic peripheral and a hydrophilic center. It has a diverse set of functions that facilitat...
Site-specific post-translational modifications regulate the binding affinity of Conus amadis α-conotoxin Am2005 to Ac-AChBP [0.03%]
定点翻译修饰调控康盛乌斑宝贝α-康托克斯Am2005与Ac-AChBP结合亲和力
Shweta Dhannura,Marimuthu Vijayasarathy,Kashibai Patil et al.
Shweta Dhannura et al.
Post-translational modifications (PTMs) play a pivotal role in diversifying the structure and function of peptide toxins from marine cone snails, which have proven applications in the treatment of neuropathic pain. Analysis of crude venom f...
Understanding the structure and activation mechanism of class C GPCRs: structural insights from molecular dynamics simulations [0.03%]
理解类C G蛋白偶联受体的结构及其激活机制——分子动力学模拟的新见解
Abdullahi Ibrahim Uba,Muhammad Abubakar Bello,Betül Subaşı et al.
Abdullahi Ibrahim Uba et al.
Class C G protein-coupled receptors (GPCRs) consititute a uniquely structured receptor family that requires dimerization and long-range conformational changes for activation. Among these, metabotropic glutamate receptors (mGluRs) and γ-ami...
Computational and experimental targeting of TraH-TraU interaction in Acinetobacter baumannii inhibits type IV secretion system (T4SS) mediated transfer of the tetracycline resistance gene [0.03%]
计算和实验靶向定位鲍曼不动杆菌中TraH-TraU相互作用抑制四型分泌系统(T4SS)介导的四环素耐药基因转移
Ashabari Panda,Sayani Sarkar,Anshika Gupta et al.
Ashabari Panda et al.
Antimicrobial resistance genes are transferred through conjugation-based horizontal gene transfer, which relies on the type IV secretion system (T4SS) for DNA transfer. Thus, conjugation inhibitors hold promise for controlling the spread of...
Molecular insights into the binding of curcumin, γ-oryzanol, and sesamin to cyclooxygenase-2 (COX-2): a computational study [0.03%]
计算研究黄连素、γ-稻醇和sesamin与环氧合酶-2(COX-2)结合的分子见解：一项计算研究
Peerayut Dammak,Borvornwat Toviwek,Sittichai Daengprasert et al.
Peerayut Dammak et al.
Cyclooxygenase-2 (COX-2) is a key therapeutic target for inflammatory diseases, cancer, and osteoarthritis (OA). Thus, several COX-2 inhibitors have been developed. However, their clinical use has been limited due to the cardiovascular, hep...
Apo-Holo: a neural network to predict residue-level backbone and side-chain displacements during the formation of CAZyme-sugar complexes [0.03%]
Apo-Holo：一个神经网络用于预测CAZY酶-糖复合物形成过程中残基级联骨架和侧链位移
Santiago Alonso-Gil
Santiago Alonso-Gil
Predicting local structural rearrangements of enzymes upon ligand binding remains a major challenge. We present Apo-Holo (pronounced Apolo), a dataset and neural-network models that predict per-residue backbone and side-chain displacements ...