Synthesis, characterization and larvicidal studies of ethyl 3-benzoyl-7-(piperidin-1-yl)indolizine-1-carboxylate analogues against Anopheles arabiensis and cheminformatics approaches [0.03%]
乙基3-苯甲酰基-7-(哌啶-1-基)吲哚嗪-1-羧酸酯类似物的合成，表征及幼虫杀灭研究对抗安诺索斯阿拉伯蚊及化学信息学方法
Sondarya Uttam Shende,Nizar A Al-Shar&#x;i,Surbhi Mahender Saini et al.
Sondarya Uttam Shende et al.
According to WHO, in 2021, there was an estimation of 247 million malaria cases from 84 malaria-endemic countries. Globally an estimated count of 2 billion malaria cases and 11.7 million deaths due to malaria were recorded in the past two d...
Unveiling the molecular interaction of hepatitis B virus inhibitor, entecavir with human serum albumin through computational, microscopic and spectroscopic approaches [0.03%]
通过计算，显微和光谱方法揭示乙肝病毒抑制剂恩替卡韦与人血清白蛋白的分子相互作用
Mujaheed Abubakar,Saharuddin B Mohamad,Adyani Azizah Abd Halim et al.
Mujaheed Abubakar et al.
Molecular docking, molecular dynamics (MD) simulation, atomic force microscopy (AFM) and multi-spectroscopic techniques were selected to unveil the molecular association between the hepatitis B virus (HBV) inhibitor, entecavir (ETR), and th...
Deciphering the binding mechanism of gingerol molecules with plasma proteins: implications for drug delivery and therapeutic potential [0.03%]
姜辣素分子与血浆蛋白结合机制的解析：对药物传递及治疗潜力的影响
Mahesh Gokara,Mohammad Yusuf Zamal,Vijay Srinivas Lavudiya et al.
Mahesh Gokara et al.
Ginger is a highly valued herb, renowned globally for its rich content of phenolic compounds. It has been traditionally used to treat various health conditions such as cardiovascular diseases, digestive issues, migraines, Alzheimer's diseas...
Computational exploration of FOXM1 inhibitors for glioblastoma: an integrated virtual screening and molecular dynamics simulation study [0.03%]
FOXM1抑制剂在胶质母细胞瘤中的计算探索：一项结合虚拟筛选和分子动力学模拟研究的方法
Kumari Swati,Sudhir Rama Varma,R P Parameswari et al.
Kumari Swati et al.
In this study, a comprehensive investigation of a set of phytochemicals to identify potential inhibitors for the Forkhead box protein M1 (FOXM1) was conducted. FOXM1 is overexpressed in glioblastoma (GBM) cells and plays a crucial role in c...
Insights into the inhibitory potential of novel hydrazinyl thiazole-linked indenoquinoxaline against alpha-amylase: a comprehensive QSAR, pharmacokinetic, and molecular modeling study [0.03%]
新型肼基噻唑连接的吲哚喹唑啉对α-淀粉酶抑制潜力的见解：一项全面的QSAR，药代动力学和分子建模研究
Oussama Abchir,Imane Yamari,Amneh Mohammad Shtaiwi et al.
Oussama Abchir et al.
The rising prevalence of diabetes necessitates the development of novel drugs, especially given the side effects associated with current medications like Acarbose and Voglibose. A series of 36 Hydrazinyl thiazole-linked indenoquinoxaline de...
Kerem Yalkut,Soumaya Ben Ali Hassine,Esra Basaran et al.
Kerem Yalkut et al.
The virulence factor Type IV pili (T4P) are surface appendages used by the opportunistic pathogen Pseudomonas aeruginosa for twitching motility and adhesion in the environment and during infection. Additionally, the use of these appendages ...
XRD/DFT, Hirshfeld surface analysis and molecular modelling simulations for unfolding reactivity of newly synthesized vanillin derivatives: excellent optical, NLO and protein binding efficiency [0.03%]
新合成的香兰素衍生物的反应性展开：出色的光学，NLO和蛋白质结合效率_XRD / DFT，Hirshfeld表面分析和分子建模模拟
Shaaban K Mohamed,Atazaz Ahsin,Hafiz Muzzammel Rehman et al.
Shaaban K Mohamed et al.
New vanillin derivatives, namely, ethyl (4-formyl-2-methoxyphenoxy)acetate (2a) and 2-(4-formyl-2-methoxyphenoxy)-N-phenylacetamide (2b), respectively, were synthesized and characterized by NMR (1H and 13C), IR, mass spectra and confirmed b...
The in vitro and in vivo antiviral effects of IGF1R inhibitors against respiratory syncytial virus infection [0.03%]
IGF1R抑制剂对呼吸道合胞病毒感染的体内外抗病毒作用
Pinglang Ruan,Pei Dai,Yu Mao et al.
Pinglang Ruan et al.
The insulin-like growth factor 1 receptor (IGF1R) was recognized as a pivotal receptor that facilitated the cellular entry of RSV. Small molecule inhibitors designed to target IGF1R exhibited potential as potent antiviral agents. Through vi...
Monophasic coamorphous sulpiride: a leap in physicochemical attributes and dual inhibition of GlyT1 and P-glycoprotein, supported by experimental and computational insights [0.03%]
单相共无定形的舒必利：理化性质的飞跃以及对GlyT1和P-糖蛋白的双重抑制，基于实验和计算的见解支持
Ekta Pardhi,Devendra Singh Tomar,Rahul Khemchandani et al.
Ekta Pardhi et al.
Study aimed to design and development of a supramolecular formulation of sulpiride (SUL) to enhance its solubility, dissolution and permeability by targeting a novel GlyT1 inhibition mechanism. SUL is commonly used to treat gastric and duod...
A virtual insight into mushroom secondary metabolites: 3D-QSAR, docking, pharmacophore-based analysis and molecular modeling to analyze their anti-breast cancer potential [0.03%]
对蘑菇次生代谢产物的虚拟见解：基于3D定量结构活性关系，对接，药效团分析和分子建模分析它们的抗乳腺癌潜力
Nusrat Shafiq,Bushra Shakoor,Nazia Yaqoob et al.
Nusrat Shafiq et al.
Breast cancer is a major issue of investigation in drug discovery due to its rising frequency and global dominance. Plants are significant natural sources for the development of novel medications and therapies. Medicinal mushrooms have many...