Article
Biochemical Research Methods
Jin Young Kim, Gyeong-Guk Park, Eun-Jung Kim, Bum Seok Park, Jeongchan Lee, Hanbit Song, Beom Gi Park, Romas Kazlauskas, Joo-Hyun Seo, Byung-Gee Kim
Summary: Recent advances in deep learning approaches for protein engineering have enabled quick prediction of hot spot residues to improve protein solubility. However, there is often a discrepancy between computational predictions and experimental results. In this study, we present a hybrid approach called Consensus design Soluble Mutant Screening (ConsenSing) to computationally predict hot spots and experimentally explore mutants for improving protein solubility. Our approach identified multiple mutants of Escherichia coli lysine decarboxylase, LdcC, with increased soluble expression, and revealed a critical residue for the improved solubility. This study demonstrates the potential of following a protein's natural evolutionary path to enhance protein solubility and expression through single residue mutations.
ACS SYNTHETIC BIOLOGY
(2023)
Article
Biotechnology & Applied Microbiology
Yang Xi, Lidan Ye, Hongwei Yu
Summary: This study successfully improved the thermal and alkaline stability of the enzyme CadA through a combination of directed evolution and virtual screening, resulting in the identification of a mutant with increased cadaverine yield. Molecular dynamics simulations provided insights into the mechanisms underlying this improved stability.
BIORESOURCES AND BIOPROCESSING
(2022)
Article
Plant Sciences
Takahiko Kubo, Yoshiyuki Yamagata, Hiroaki Matsusaka, Atsushi Toyoda, Yutaka Sato, Toshihiro Kumamaru
Summary: This study reports the creation and release of an open-access database called MiRiQ, which allows for in silico mutant screening based on a whole-genome-sequenced mutant library. The database provides easy access to mutants of interest and also offers tools for mutation searches. Users can request mutant seeds through the connected request form.
PLANT AND CELL PHYSIOLOGY
(2023)
Article
Biotechnology & Applied Microbiology
Siyuan Gao, Alei Zhang, Ding Ma, Kun Zhang, Jing Wang, Xin Wang, Kequan Chen
Summary: This study aimed to improve the stability of lysine decarboxylase from Escherichia coli (EcCadA) under alkaline pH by rational engineering, in order to enhance cadaverine enzymatic production. Mutations of interfacial disulfide bonds in EcCadA decamer were chosen, and M3 mutant showed a 6-fold increase in cadaverine production at pH 10.0. The study provided a more efficient enzyme for industrially producing cadaverine.
BIOCHEMICAL ENGINEERING JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Tolbert Osire, Zhina Qiao, Taowei Yang, Meijuan Xu, Xian Zhang, Zhiming Rao
Summary: Inducible lysine decarboxylases (LDCs) play essential roles in various cellular processes in microorganisms and plants, especially under acid stress. A novel Serratia marcesenes LDC (SmcadA) was successfully expressed, purified, and characterized, with the highest specific activity found in the Arg595Lys mutant. Molecular dynamics simulations highlighted the importance of hydrogen bonds between protein residues and cofactor PLP in biocatalysis. These findings contribute to understanding protein-cofactor interactions and improving biocatalysis efficiency.
Article
Chemistry, Applied
Tatsuya Kuremoto, Ren Sadatsune, Tomohiro Yasukawa, Yasuhiro Yamashita, Shu Kobayashi
Summary: In this study, a ligand library containing 31 chiral diamines was synthesized and evaluated in a continuous-flow asymmetric 1,4-addition reaction. A prediction model for enantioselectivities was successfully constructed based on experimental results and virtual screening was conducted to identify promising structures with good enantioselectivities in experiments.
ADVANCED SYNTHESIS & CATALYSIS
(2021)
Review
Pharmacology & Pharmacy
D. Sala, H. Batebi, K. Ledwitch, P. W. Hildebrand, J. Meiler
Summary: The use of deep machine learning in protein structure prediction allows easy access to annotated conformations, which can compensate for missing experimental structures in structure-based drug discovery. However, the accuracy of these predicted conformations for screening chemical compounds that effectively interact with protein targets is still uncertain. This opinion article examines the benefits and limitations of using state-annotated conformations for ultra-large library screening, particularly for common drug targets like G-protein-coupled receptors.
TRENDS IN PHARMACOLOGICAL SCIENCES
(2023)
Article
Agronomy
Zhuo Chen, Zheng Wang, Yanfang Heng, Jian Li, Jiawei Pei, Ying Cao, Xing Wang Deng, Ligeng Ma
Summary: The breeding of herbicide-resistant wheat varieties has effectively controlled weeds in wheat fields. IMI herbicides are popular due to their low toxicity, effectiveness at small doses, and broad-spectrum herbicidal action. Isolation and genetic screening of IMI-resistant wheat mutants have enhanced weed management. Further analysis of mutated genes indicated a dose-dependent effect of TaALS mutation on IMI resistance.
Article
Chemistry, Applied
Donghui Li, Yunjun Liu, Yu Ma, Yixiang Liu, Shengnan Wang, Zixin Guo, Jie Li, Yanbo Wang, Bin Tan, Ying Wei
Summary: This study integrated dietary fatty acids into the protein-based encapsulation of carotenoids to enhance their absorption. The results showed that only a few tested fatty acids significantly promoted carotenoid absorption. Carotenoids and fatty acids were encapsulated using bovine serum albumin, resulting in nanoscale particles with high encapsulation efficiency and stability.
Article
Biochemical Research Methods
Afifa Navid, Sajjad Ahmad, Rida Sajjad, Saad Raza, Syed Sikander Azam
Summary: Acinetobacter baumannii is a prevalent pathogen in ICUs, posing challenges for treatment. FtsZ, a cell division enzyme, has been identified as a promising antibacterial therapy target. A lead-like molecule from an antibacterial library has shown strong binding affinity and safe pharmacokinetic profile, making it a potential breakthrough in the fight against this superbug.
IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS
(2022)
Article
Chemistry, Medicinal
Marko Jukic, Sebastjan Kralj, Anja Kolaric, Urban Bren
Summary: Peptides, as active ingredients of drugs and important tools in medical research, pose a challenge for computational methods. We propose an in silico workflow using CmDock to generate and prioritize peptide libraries, and successfully identified tetrapeptide ligands that bind to antibody Fc regions. Our results align with existing scientific literature and we suggest a developing in silico library design workflow to overcome the combinatorial problem of in vitro peptide libraries.
Review
Agronomy
Wenjun Xia, Peipei Zhang, Xinyang Wu, Mingxuan Li, Ting Sun, Pingping Fang, Arun K. Pandey, Pei Xu
Summary: This review provides information on mutant library resources and mutant screening technologies in legume crops. Traditional hybrid breeding and gene editing technologies are difficult to apply in legumes, but mutation technologies can accelerate breeding and facilitate functional genomic studies.
Article
Food Science & Technology
Suyeon An, Sungahm Ahn, Andres Letona, Ji Hyun Shin, Seung Hoon Kang, Jae Yun Jeong, Sang Min Park, Jun Woo Kim, Daeung Yu, Hee Chung, Donghwa Chung
Summary: This study compared the properties of L-lysine-CO3 granules with commercial L-lysine-HCl granules. The results showed that L-lysine-CO3 granules had lower crystallinity, a looser structure, higher hygroscopicity, lower thermal stability, and a greater tendency to cake. However, these properties were still within acceptable levels for commercial use, indicating the high potential of L-lysine-CO3 granules for commercial development.
Article
Biochemistry & Molecular Biology
Liuxin Shi, Li Huang, Haizhen Long, Aoqun Song, Zheng Zhou
Summary: This study developed a simple chemical modification approach to substitute H4K20, aiming to investigate the recognition and modification of H4 by SET8 in the context of the nucleosome. The results revealed that SET8 directly interacts with the H4 tail and the H2A-H2B acidic patch to ensure nucleosome binding, and its DNA-binding residues are crucial for the methyltransferase activity. The near-atomic resolution structure of the SET8-bound nucleosome provides insights into the SET8-mediated H4K20 recognition and modification.
Article
Environmental Sciences
Mohammad A. Elmorsy, Ahmed M. El-Baz, Nashwa H. Mohamed, Rafa Almeer, Mohamed M. Abdel-Daim, Galal Yahya
Summary: This study involved computational screening of FDA-approved drugs against specific proteins of COVID-19, identifying several antibiotics and mouth rinsing solutions showing promising binding stability with the virus targets. Heartburn drugs did not show significant binding affinity, while angiotensin II blockers used as antihypertensive drugs were suggested to have a therapeutic effect against COVID-19.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)