'Biophysical and computational elucidation of the intermolecular Bendiocarb-BSA interaction at site I: structural and dynamic perspectives' [0.03%]
苯丁卡巴胺与BSA结合位点I相互作用的生物物理和计算阐明：结构和动力学视角
Malhari Nagtilak,Satish Pawar,Sandip Labade et al.
Malhari Nagtilak et al.
Bendiocarb (BEN), a carbamate insecticide designated as moderately hazardous (Class II) by the WHO (2009), is extensively utilized in agricultural and residential pest control, raising significant concerns about its toxicological and enviro...
Structural, functional and biophysical characterization of two cryptic RNA methyltransferases (Rv3366 and Rv3919c) of Mycobacterium tuberculosis [0.03%]
结核分枝杆菌两个隐秘的RNA甲基转移酶(Rv3366和Rv3919c)的结构、功能及生物物理表征
Tasmin Nazim,Faraz Ahmed,Md Amjad Beg et al.
Tasmin Nazim et al.
RNA methyltransferases (MTases) play a significant role in post-transcriptional regulation in bacteria, significantly influencing virulence, stress adaptation and host-pathogen interactions. In Mycobacterium tuberculosis, several putative M...
Structural insights into mutated human phosphoglucomutase 1 (PGM1) using computational approaches [0.03%]
计算方法研究突变的人磷酸葡萄糖变位酶1(PGM1)的结构观点
Eman Abdullah Almuqri
Eman Abdullah Almuqri
The phosphoglucomutase 1 (PGM1) enzyme plays a critical role in metabolism and glycosylation in the human body. PGM1 has been linked to multiple disease phenotypes, including the inherited metabolic disorder known as congenital disorders of...
Decrypting the allosteric network: multi-scale dynamics of SARS-CoV-2 main protease inhibition by Moringa oleifera flavonoids [0.03%]
解密别构网络：摩尔根gel oleifera黄酮类化合物通过多尺度动力学抑制SARS-CoV-2主要蛋白酶
Fatemeh Haghighi,Atena Pakzadiyan
Fatemeh Haghighi
The SARS-CoV-2 main protease (Mpro) is a prototypical enzyme whose activity is governed by long-range allosteric communication within its dynamic structural network. Flavonoids from Moringa oleifera have been reported to interact with Mpro,...
Anti-mycobacterial activity of phytocompounds from Ricinus communis L. - an integrated in-vitro and in-silico approach [0.03%]
一种与实验室反麻风杆菌活性的植物化合物集成的体内和体外方法
Sadhana Sundararajan,Rajiniraja Muniyan
Sadhana Sundararajan
Mycobacterium tuberculosis (Mtb) infection remains as a continuous blight on global health, but the treatment and prevention techniques to treat tuberculosis (TB) are generally stagnant in the past several decades. Although the existing ant...
Binding studies of the X-ray characterized [SnMe2Cl2(Me2phen)] complex with human serum albumin: experimental and molecular docking approaches [0.03%]
X射线表征的[SnMe₂Cl₂(Me₂phen)]复合物与人血清白蛋白的结合研究：实验及分子对接方法
Saba Zendehcheshm,Nahid Shahabadi,Badri Z Momeni
Saba Zendehcheshm
Due to the limitations of platinum-based chemotherapeutics such as cisplatin, including severe toxicity and acquired drug resistance, the development of alternative metal-based agents with improved efficacy and reduced side effects has beco...
Computational design and experimental validation of peptide inhibitors to disrupt urease enzyme maturation in pathogenic bacteria Proteus mirabilis [0.03%]
计算设计并实验验证破坏致病菌阴沟肠杆菌尿素酶成熟的小分子肽抑制剂
Muhammad Shaheen Iqbal,Muhammad Saleem,Yasar Saleem et al.
Muhammad Shaheen Iqbal et al.
Urease, an essential virulence factor in pathogens such as Proteus mirabilis, requires nickel incorporation into its active site for maturation. This process is mediated by accessory proteins, with a key role of UreE-UreG interaction repres...
Wavelet-domain multiway spectral separation of free drug, DNA, and drug-DNA complex profiles for quantitative binding analysis based on fractional occupancy (θ) [0.03%]
基于分数占有率(θ)的定量结合分析的游离药物、DNA和药物-DNA复合物谱型的波let域多维频谱分离方法
Erdal Dinç
Erdal Dinç
Classical UV spectrophotometric analysis of drug-DNA interactions is fundamentally limited by severe spectral overlap and by linearization schemes relying on molar absorptivity assumptions. Under such conditions, conventional approaches, in...
Gene expression and microsecond scale conformational dynamics suggest potential regulatory mechanisms for the expanded subtilase family of T. rubrum [0.03%]
基因表达和微秒级构象动力学暗示了T. rubrum扩展的蛋白酶家族潜在的调控机制
Himani Singh,Chitra Latka,Bhupesh Taneja
Himani Singh
Dermatophytes, such as Trichophyton rubrum, are the primary causative agent for superficial fungal infections worldwide. Recent rise in drug resistant cases of dermatophytes have been observed highlighting the urgent need for new therapeuti...
Deciphering the Role of Sugar Osmolytes in Free and Nano forms to Mitigate Protein Aggregation: Insights from Biophysical and Microscopic Studies [0.03%]
糖型渗透剂的自由态和纳米态对蛋白质聚集的缓解作用：来自生物物理及显微成像研究的见解
Faiza Iram,Danish Alam,Tanzeel Khan et al.
Faiza Iram et al.
The native conformation of a protein is crucial for performing its function, which becomes limited due to the propensity of protein to aggregate under sub-optimal conditions. To keep protein in its compact native structure, osmolytes have a...