Article
Chemistry, Physical
Surajit Kalita, Sason Shaik, Kshatresh Dutta Dubey
Summary: This study investigates the catalytic mechanism of cytochrome P450(51) in the biosynthesis of sterol. It reveals that the C-C bond cleavage reaction can initiate from either gem-diol or aldehyde intermediates, and proceeds through proton-coupled electron transfer or with assistance from a water molecule. The findings provide insights into the enigmatic reaction of C-C bond cleavage and its role in the natural biosynthesis of complex organic molecules.
Article
Agronomy
Maximilian M. Muellender, Anne-Katrin Mahlein, Gerd Stammler, Mark Varrelmann
Summary: This study identified mutations associated with reduced sensitivity in C. beticola isolates collected from different European countries. The experiment showed that some mutations were related to lower EC50 values, indicating a possible correlation between target site mutations and reduced sensitivity.
PEST MANAGEMENT SCIENCE
(2021)
Article
Biochemistry & Molecular Biology
David C. Lamb, Tatiana Y. Hargrove, Bin Zhao, Zdzislaw Wawrzak, Jared Goldstone, William David Nes, Steven L. Kelly, Michael R. Waterman, John J. Stegeman, Galina Lepesheva
Summary: Sterol biosynthesis in Methylococcus capsulatus involves a simplified pathway with the key step of sterol 14 alpha-demethylation catalyzed by CYP51. The structure of CYP51fx from M. capsulatus is the first of a bacterial sterol biosynthetic enzyme, suggesting a common evolutionary origin of eukaryotic and bacterial CYP51s. Bioinformatic analysis reveals the presence of CYP51 genes in over 1,000 bacteria, supporting the idea that early eukaryotes may have recruited CYP51 from bacterial sources.
MOLECULAR BIOLOGY AND EVOLUTION
(2021)
Article
Biochemistry & Molecular Biology
Lu Liu, Hongsu Wang, Li Lin, Yawen Gao, Xiaodi Niu
Summary: The natural compound mulberrin (MBN) has been discovered to effectively inhibit the growth of Botrytis cinerea and prolong the preservation of strawberries. MBN exerts its antifungal activity by inhibiting the activity of 14α-demethylase (CYP51), and its 2-methylpent-2-ene moiety at atom C9 forms a strong pi-cation interaction with the Fe ion of heme in CYP51, making it a critical pharmacophore for CYP51 inhibitors.
Article
Biochemistry & Molecular Biology
John M. Hancock, Walter Spindelbock, Tadeja Rezen, Peter Juvan, Damjana Rozman, Kaja Blagotinsek Cokan
Summary: Omics technology has expanded our understanding of the transcriptional and gene regulatory networks of multifactorial diseases. By comparing gene expression data from humans and transgenic mice with hepatocyte deletion of Cyp51, researchers identified potential biomarkers and pathways related to liver disease, with a closer match found in female patients. The study highlights the importance of open data resources and consistent annotation.
BIOCHIMICA ET BIOPHYSICA ACTA-GENE REGULATORY MECHANISMS
(2022)
Article
Microbiology
Danyon O. Graham, Rajni K. Wilson, Yasmeen N. Ruma, Mikhail V. Keniya, Joel D. A. Tyndall, Brian C. Monk
Summary: Target-based azole resistance in Candida albicans involves overexpression of the ERG11 gene encoding lanosterol 14 alpha-demethylase (LDM) and/or mutations in this enzyme. In a study, structurally aligned mutations in recombinant hexahistidine-tagged full-length Saccharomyces cerevisiae LDM were used as surrogates to elucidate how differential susceptibility to azole drugs is conferred by LDM of the C. albicans Darlington strain. These mutations, particularly Y140H and I471T, were found to play a key role in conferring resistance to short-tailed azoles.
Article
Biochemistry & Molecular Biology
Mohd Waseem, Jitendra K. Thakur, Naidu Subbarao
Summary: In this study, a large number of small molecules were screened to find novel and potential inhibitors of LDM. Two best candidates, C1 and C3, were selected and validated through molecular dynamic simulation. Results showed that C1 and C3 have higher binding affinity with LDM compared to the benchmark compound, suggesting their potential as significant LDM inhibitors.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Organic
Luke R. Churchman, Lauren J. Salisbury, James J. De Voss
Summary: This study reports the first chemical synthesis of the final endogenous substrate of the sterol 14 alpha-demethylases (CYP51s), obtusifoliol, and demonstrates the potential for further investigation into the derivatisation of the sterol skeleton and the development of CYP51 inhibitors to overcome azole resistance in antifungal agents.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Olufunmilayo Olukemi Akapo, Joanna M. Macnar, Justyna D. Krys, Puleng Rosinah Syed, Khajamohiddin Syed, Dominik Gront
Summary: In this study, in silico structural analysis of 11 CYP51s from cryptococcal species and other Tremellomycetes was conducted, showing a high preference of Tremellomycetes CYP51s for itraconazole. The conservation of amino acids interacting with different ligands across CYP51s indicates the accuracy and potential for automation of the study in studying P450-ligand interactions to cater for the growing number of P450s.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Shams Tabrez, Fazlur Rahman, Rahat Ali, Sajjadul Kadir Akand, Mohammed A. Alaidarous, Bader Mohammed Alshehri, Saeed Banawas, Abdul Aziz Bin Dukhyil, Abdur Rub
Summary: Leishmaniasis is a neglected tropical disease caused by the parasitic protozoan Leishmania, endemic in numerous countries globally. The FDA-approved drug avodart has shown potential as an effective antileishmanial agent, inhibiting parasite growth and inducing apoptosis-like cell death. Further validation is needed to confirm its effectiveness as a treatment for leishmaniasis.
JOURNAL OF CELLULAR BIOCHEMISTRY
(2021)
Review
Biochemistry & Molecular Biology
Atamjit Singh, Karanvir Singh, Aman Sharma, Kirandeep Kaur, Renu Chadha, Preet Mohinder Singh Bedi
Summary: Fungal infections are becoming a serious threat to the healthcare system due to the increased resistance to currently available antifungal drugs. Azoles have been the most effective and commonly used antifungal agents, but their side effects and emerging resistance have prompted the need for new and potent antifungal agents. This review focuses on azole and non-azole derivatives that target fungal lanosterol 14a-demethylase (CYP51) as potential antifungal agents. The review provides insights into the structure-activity relationship, pharmacological outcomes, and molecular interactions of these derivatives with CYP51, aiming to assist medicinal chemists in designing rational and effective antifungal agents to combat emerging drug resistance.
CHEMICAL BIOLOGY & DRUG DESIGN
(2023)
Article
Biochemistry & Molecular Biology
Tatsiana V. Tsybruk, Leonid A. Kaluzhskiy, Yuri V. Mezentsev, Tatyana N. Makarieva, Kseniya M. Tabakmaher, Natalia V. Ivanchina, Pavel S. Dmitrenok, Alexander V. Baranovsky, Andrei A. Gilep, Alexis S. Ivanov
Summary: Finding new effective antifungal agents is crucial due to the increasing prevalence of fungal diseases caused by Candida fungi and the development of drug resistance. This study focused on the interaction between C. krusei CYP51 and various ligands, including azole inhibitors and steroid derivatives. The resistance of C. krusei to azoles was found to be a result of a mechanism other than the structural features of CYP51. Promising ligands with strong binding to C. krusei CYP51 were identified, suggesting their potential as selective modulators of this enzyme's activity.
Article
Multidisciplinary Sciences
Guoqiang Zhu, Chao Fang, Chunheng Mo, Yajun Wang, Yan Huang, Juan Li
Summary: The transcriptome analysis of Gp and Gd cells in chicken preovulatory follicles revealed differences in cell cycle regulation, steroidogenesis, extracellular matrix remodeling, cell adhesion, sperm binding, and signaling pathways, which are likely controlled by gonadotropins and local ovarian factors such as GD-derived factors.
SCIENTIFIC REPORTS
(2021)
Article
Microbiology
Huizhong Li, Yichang Cai, Quanqing Deng, Han Bao, Jianwen Chen, Wankuan Shen
Summary: The study identified gene SsCI72380 as playing a crucial role in various aspects of the sugarcane smut disease caused by Sporisorium scitamineum, including sporidial growth, sexual mating/filamentation, hyphae growth, and pathogenicity. The gene regulates the biosynthesis process of ergosterol and affects the cell membrane structure and function. Additionally, it responds to different abiotic stresses and enhances the pathogenicity of S. scitamineum.
FRONTIERS IN MICROBIOLOGY
(2021)
Article
Biochemical Research Methods
Imran Sama-ae, Nawanwat C. Pattaranggoon, Aman Tedasen
Summary: An increase in fungal infections worldwide and the emergence of new fungal strains and antifungal resistance necessitate the search for new therapeutic options. This study aimed to identify new antifungal candidates derived from natural sources that could inhibit the enzymatic activity of Candida albicans CYP51 and have good pharmacokinetic properties.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2023)
Article
Chemistry, Physical
Yao Huo, Jinfeng Zhang, Zhongliao Wang, Kai Dai, Chengsi Pan, Changhao Liang
Summary: Heterostructured photocatalysts, such as the step-scheme porous g-C3N4/Bi12O17Cl2 (PGCN/BOC) nanocomposite, show enhanced photocatalytic performance by promoting interfacial charge migration and shortening the diffusion path of charge carriers. This work provides new insights into constructing novel heterojunctions for photocatalytic CO2 reduction.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Chang Liu, Zelin Chen, Dewei Rao, Jinfeng Zhang, Yunwei Liu, Yanan Chen, Yida Deng, Wenbin Hu
Summary: The study demonstrates that the trimetallic NiPtAu-SRAuHNCs catalyst with rich Au content on the surface exhibits superior CO-resisting performance and much higher MOR specific activity compared to Pt/C counterparts. The enhanced catalytic activity and anti-CO poisoning capability of NiPtAu-SRAuHNCs are mainly attributed to the weakened CO adsorption due to the exposure of Au atoms on NiPt surface, as supported by experimental data and density functional theory calculations.
SCIENCE CHINA-MATERIALS
(2021)
Article
Developmental Biology
Chuanghui Yin, Heng Cai, Dandan Yang, Yi Jian, Jinfeng Zhang, Zhiwen Li, Dong Wang
Summary: Cigarette smoke exposure during gestation can delay or prevent neural tube closure in golden hamster embryos by downregulating noggin expression in the placenta and promoting cell apoptosis. Additionally, cigarette smoke may inhibit embryo development and contribute to the formation of NTDs by downregulating noggin expression and upregulating BMP2 expression.
BIRTH DEFECTS RESEARCH
(2021)
Article
Chemistry, Physical
Xiaofeng Li, Jinfeng Zhang, Yao Huo, Kai Dai, Suwen Li, Shifu Chen
Summary: This study successfully fabricated sulfur and chlorine codoped graphite CN (S/Cl-CN) and constructed a S/Cl-CN/CdSe-D heterojunction, which exhibits enhanced photocatalytic activity. The introduction of S and Cl atoms improves interlayer charge migration capability, while the substitution of S atom for N atom helps adjust the band gap.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Review
Physics, Applied
Muye Liu, Qi Kang, Zhicheng Xie, Luhua Lu, Kai Dai, Graham Dawson
Summary: This review introduces the concept of heterostructure nanocomposite and the basis of LSPR, controlled synthesis and recent research progress in the applications of LSPR in artificial photosynthesis, degradation of pollutants and deactivation of microorganisms.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Article
Green & Sustainable Science & Technology
Zhiwei Zhao, Kai Dai, Jinfeng Zhang, Graham Dawson
Summary: The design of a step-scheme (S-scheme) heterojunction can enhance the efficiency of photocatalytic hydrogen production by promoting the separation of photogenerated carriers and optimizing the oxidation-reduction capacity of the photocatalyst. In this study, an S-scheme heterojunction of MCS-DETA/Pg-C3N4 was designed, which significantly improved the hydrogen production efficiency under the same light conditions.
ADVANCED SUSTAINABLE SYSTEMS
(2023)
Article
Materials Science, Ceramics
Yue Huang, Jinfeng Zhang, Kai Dai, Changhao Liang, Graham Dawson
Summary: Converting solar energy into chemical energy is a promising method to alleviate the global energy shortage. Constructing S-scheme heterojunction photocatalysts can achieve efficient separation and transfer of charge carriers.
CERAMICS INTERNATIONAL
(2022)
Article
Physics, Applied
Dongdong Chen, Xiaofeng Li, Kai Dai, Jinfeng Zhang, Graham Dawson
Summary: The activity of photocatalysts depends on the separation of internal charge carriers, thereby enhancing the redox ability. By designing a porous PCN/CS-D heterojunction, the hydrogen-evolution rate of the photocatalyst is significantly improved.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Zhiwei Zhao, Xiaofeng Li, Kai Dai, Jinfeng Zhang, Graham Dawson
Summary: This study synthesized S-scheme nanocomposites with good photocatalytic activity through the in-situ growth method to boost photocatalytic CO2 reduction and improve photocatalytic activity and stability.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
X. Li, Z. Wang, J. Zhang, K. Dai, K. Fan, G. Dawson
Summary: This study prepared Cd0.7Zn0.3Se solid solution through cation exchange and formed a heterojunction with Cu2O@Cu, which can improve the adsorption and conversion efficiency of CO2, providing new insights for the regulation of nanostructures and the design of catalysts.
MATERIALS TODAY PHYSICS
(2022)
Article
Chemistry, Physical
Taiping Hu, Pengfei Li, Wei Zhang, Yixing Ye, Jun Liu, Yunyu Cai, Guofeng Zhang, Kai Dai, Changhao Liang
Summary: Designing high-performance catalysts for electrocatalytic hydrogen production remains a significant challenge. Small-size bimetallic alloy nanoparticles have garnered considerable attention in the field of electrocatalysis due to their large exposure of effective active sites and optimal geometric/electronic effects. In this study, ultra-small bimetallic PtM (M=Ni, Co) alloy nanoparticles (approximately 1.7 nm) were synthesized on carbon supports through laser irradiation in liquids. This unique method leverages the effective absorption of pulse laser energy by carbon supports to generate high temperatures, enabling the reduction of metallic ions precursors by ethanol molecules and the subsequent formation of alloy nanoparticles. The resulting bimetallic PtNi alloy nanoparticles exhibited significantly improved catalytic performance in the hydrogen evolution reaction (HER).
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Zhiwei Zhao, Zhongliao Wang, Jinfeng Zhang, Chunfeng Shao, Kai Dai, Ke Fan, Changhao Liang
Summary: In this study, an In-O-Cd bond-modulated S-scheme heterojunction of In2O3/CdSe-DETA was synthesized, which accelerated the photogenerated electron transfer. The oxygen vacancies (Vo) of In2O3 were found to have an electron capture effect. The synergistic effect of this structure extracted and rapidly transferred electrons to surface-active sites, improving the electronic coupling of CO2. This research provides new insights into photocatalytic CO2 reduction by precisely adjusting the electron transfer pathway and shortening the electron transfer distance.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Jiahui Hua, Zhongliao Wang, Jinfeng Zhang, Kai Dai, Chunfeng Shao, Ke Fan
Summary: In this work, highly dispersed MOF-BiOBr/Mn0.2Cd0.8S (MOFBiOBr/MCS) S-scheme heterojunctions with high photocatalytic CO2 reduction performance were constructed. The intimate contact between the MCS nano-spheres and the nanosheet-assembled MOF-BiOBr rods, driven by the internal electric field, accelerates the charge transfer along the S-scheme pathway. The optimum MOF-BiOBr/MCS shows excellent activity in CO2 reduction, affording a high CO evolution rate of 60.59 µmol h-1 g-1.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Engineering, Chemical
Xiutao Xu, Yue Huang, Kai Dai, Zhongliao Wang, Jinfeng Zhang
Summary: Photocatalytic CO2 reduction based on g-C3N4 with inexpensive, efficient, stable, and suitable energy band structure, serve as a promising candidate for alleviating the greenhouse effect. Herein, porous g-C3N4/CuSe (PCN/CS) Schottky heterojunctions were fabricated to overcome the low CO2 photoreduction performance of g-C3N4. The improved charge separation and reduced reaction energy barrier in PCN/CS contributed to significantly higher CO2 photoreduction efficiency compared to pure PCN and CS.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Jing Wang, Zhongliao Wang, Jinfeng Zhang, Siang-Piao Chai, Kai Dai, Jingxiang Low
Summary: This study explores the modulation of surface-active sites in CdCNS/CdS photocatalyst by employing a non-noble metal cocatalyst NiS, leading to enhanced photocatalytic performance and improved hydrogen production rate.
