Biophysics

Review Biochemistry & Molecular Biology

Autophagy as a molecular target of quercetin underlying its protective effects in human diseases

Milad Ashrafizadeh, Zahra Ahmadi, Tahereh Farkhondeh, Saeed Samarghandia

Summary: Autophagy is a self-eating process that degrades aged or damaged components and organelles. It plays a crucial role in physiological conditions and neurological disorders. Quercetin, a plant-derived chemical, has various biological and therapeutic effects. This review provides an overview of the relationship between quercetin and autophagy, as well as how quercetin modulates the autophagy mechanism.

ARCHIVES OF PHYSIOLOGY AND BIOCHEMISTRY (2022)

Article Biochemistry & Molecular Biology

ADOPT: automatic deep learning and optimization-based approach for detection of novel coronavirus COVID-19 disease using X-ray images

Gaurav Dhiman, Victor Chang, Krishna Kant Singh, Achyut Shankar

Summary: This study proposes a deep learning-based technique using X-ray images to identify patients infected with the novel coronavirus. Through testing 11 different convolutional neural network (CNN) models, it demonstrates the model's high accuracy and performance in classifying X-ray images.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)

Article Biophysics

Hollow prussian blue nanozyme-richened liposome for artificial neural network-assisted multimodal colorimetric-photothermal immunoassay on smartphone

Zhichao Yu, Hexiang Gong, Meijin Li, Dianping Tang

Summary: In this study, a sensitive cascade of colorimetric-photothermal biosensors was developed for prognostic management of patients with myocardial infarction. The biosensor models utilized a cascade enzymatic reaction device and a portable smartphone-adapted signal visualization platform to achieve sensitive determination of cTnI protein.

BIOSENSORS & BIOELECTRONICS (2022)

Article Biophysics

Rapid, multiplexed, and nucleic acid amplification-free detection of SARS-CoV-2 RNA using an electrochemical biosensor

Leila Kashefi-Kheyrabadi, Huynh Vu Nguyen, Anna Go, Changyoon Baek, Nayoon Jang, Jiwon Michelle Lee, Nam-Hyuk Cho, Junhong Min, Min-Ho Lee

Summary: The study introduces a novel nucleic acid amplification-free electrochemical biosensor for rapid and simultaneous detection of different genes of SARS-CoV-2, showing promising performance in clinical samples and potential for on-site, real-time diagnostic testing for COVID-19.

BIOSENSORS & BIOELECTRONICS (2022)

Article Biophysics

Textiles in soft robots: Current progress and future trends

Chiyu Fu, Zhigang Xia, Christopher Hurren, Azadeh Nilghaz, Xungai Wang

Summary: Textiles play a crucial role in soft robotics as either auxiliary materials or active components, but the efficiency and characteristics of textile actuators in practical applications still need improvement. Novel designs and technologies are being introduced to address these challenges and enhance the performance of soft robotic systems.

BIOSENSORS & BIOELECTRONICS (2022)

Review Biology

Networks behind the morphology and structural design of living systems

Marko Gosak, Marko Milojevic, Maja Duh, Kristijan Skok, Matjaz Perc

Summary: Researchers review the advances in applying methods of network science to study the morphology and structural design of living systems. They focus on networks between cells, multicellular structures, neural interactions, fluid transportation networks, and anatomical networks. They argue that the models and algorithms developed in network science are ushering in a new era of research into living systems and emphasize the increasing importance of this research due to developments in bioartificial substitutes and tissue engineering.

PHYSICS OF LIFE REVIEWS (2022)

Article Biochemistry & Molecular Biology

Molecular mechanisms governing aquaporin relocalisation

Andrea Markou, Lucas Unger, Mohammed Abir-Awan, Ahmed Saadallah, Andrea Halsey, Zita Balklava, Matthew Conner, Susanna Tornroth-Horsefield, Stuart D. Greenhill, Alex Conner, Roslyn M. Bill, Mootaz M. Salman, Philip Kitchen

Summary: Aquaporins (AQPs) are integral membrane proteins that facilitate water movement across biological membranes and the diffusion of small polar solutes. They have been recognized as potential drug targets for various disorders related to disrupted water or solute transport. However, drug discovery for AQPs has been challenging due to a lack of reproducible high-throughput assays and difficulties with the druggability of AQP proteins. Recent studies have suggested that targeting the trafficking of AQP proteins to the plasma membrane may be a viable alternative drug target.

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2022)

Article Biochemistry & Molecular Biology

Antitussive noscapine and antiviral drug conjugates as arsenal against COVID-19: a comprehensive chemoinformatics analysis

Neeraj Kumar, Amardeep Awasthi, Anchala Kumari, Damini Sood, Pallavi Jain, Taru Singh, Neera Sharma, Abhinav Grover, Ramesh Chandra

Summary: The coronavirus pandemic has resulted in a large number of deaths worldwide, emphasizing the urgent need for effective treatments against COVID-19. This study explores the potential of combining the antitussive drug, noscapine, with antiviral drugs for treating the disease. The researchers found that the noscapine-hydroxychloroquine conjugate showed strong binding to the main protease of SARS-CoV-2, which is crucial for the virus's infection and progression. This combinatorial therapy could be further investigated as a potential treatment for COVID-19.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)

Article Biochemistry & Molecular Biology

Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease

Mebarka Ouassaf, Salah Belaidi, Samir Chtita, Touhami Lanez, Faizan Abul Qais, Hashmi Md Amiruddin

Summary: This study evaluated biologically active compounds from medicinal plants as potential SARS-CoV-2 Mpro inhibitors through molecular docking, with two small molecules identified as ideal candidates for further drug development. Molecular dynamics simulations confirmed the stability of these compounds complexed with Mpro. Silybin showed to form a more stable complex with Mpro than Silychristin.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)

Article Biochemistry & Molecular Biology

Molecular dynamics analysis of a flexible loop at the binding interface of the SARS-CoV-2 spike protein receptor-binding domain

Jonathan K. Williams, Baifan Wang, Andrew Sam, Cody L. Hoop, David A. Case, Jean Baum

Summary: Through molecular dynamics simulations, researchers have found that the receptor-binding domain of the SARS-CoV-2 virus exhibits local dynamic flexibility in the unbound state, with mutations in the Loop 3 region having no effect on this flexibility. They have identified novel unbound substates of the RBD that are lower energy than the ACE2-bound conformation, potentially serving as new targets for therapeutic design.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2022)

Article Biophysics

An integrated and conductive hydrogel-paper patch for simultaneous sensing of Chemical-Electrophysiological signals

Tianyu Li, Bo Liang, Zhichao Ye, Lei Zhang, Shiyi Xu, Tingting Tu, Yiming Zhang, Yu Cai, Bin Zhang, Lu Fang, Xiyu Mao, Shanshan Zhang, Guan Wu, Qifu Yang, Congcong Zhou, Xiujun Cai, Xuesong Ye

Summary: This study introduces a multifunctional and flexible hydrogel-paper patch that can simultaneously monitor glucose content in sweat and electrocardiogram signals during exercise, integrated with a flexible printed circuit board for real-time monitoring of electrophysiological and biochemical signals.

BIOSENSORS & BIOELECTRONICS (2022)

Article Biochemical Research Methods

Implications of AlphaFold2 for crystallographic phasing by molecular replacement

Airlie J. McCoy, Massimo D. Sammito, Randy J. Read

Summary: The results of AlphaFold2 in CASP14 indicate that accurate predictions of protein structure domains are on the horizon, regardless of their similarity to known structures. As highly accurate models are generated using correlated mutations and deep learning, methods of phasing in crystallography, especially molecular-replacement phasing using in silico models, are expected to be impacted.

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2022)

Review Biochemistry & Molecular Biology

Tumor-associated neutrophils and neutrophil-targeted cancer therapies

Haiying Que, Qianmei Fu, Tianxia Lan, Xiaohe Tian, Xiawei Wei

Summary: This review discusses the complex roles of neutrophils in the tumor microenvironment and highlights the progress in neutrophil-targeted therapies in ongoing clinical trials.

BIOCHIMICA ET BIOPHYSICA ACTA-REVIEWS ON CANCER (2022)

Article Biophysics

Ultrasensitive and multiplex detection of four pathogenic bacteria on a bi-channel lateral flow immunoassay strip with three-dimensional membrane-like SERS nanostickers

Chongwen Wang, Chaoguang Wang, Jiaxuan Li, Zhijie Tu, Bing Gu, Shengqi Wang

Summary: Researchers have developed a bi-channel surface-enhanced Raman scattering (SERS)-based lateral flow immunoassay (LFA) technique using nanostickers for sensitive and multiplexed detection of bacteria. The results showed that the nanostickers could rapidly detect multiple pathogens with high sensitivity and multiplex analysis capability.

BIOSENSORS & BIOELECTRONICS (2022)

Article Biochemistry & Molecular Biology

Effect of Opuntia ficus indica extract on methotrexate-induced testicular injury: a biochemical, docking and histological study

Amira Akacha, Riadh Badraoui, Tarek Rebai, Lazhar Zourgui

Summary: This study evaluated the role of Opuntia ficus indica ethanolic extract in protecting against testicular damage induced by Methotrexate (MTX) in rats. The results showed that MTX had destructive effects on sperm count, motility, and testosterone levels, as well as increased oxidative stress in the testis. However, treatment with Opuntia ficus indica extract improved testicular histology, reduced oxidative stress, and improved sperm parameters and testosterone levels. In conclusion, Opuntia ficus indica extract has potential fertility-boosting effects and can protect against MTX-induced testicular injury in rats.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)

Article Biochemistry & Molecular Biology

Scanning the RBD-ACE2 molecular interactions in Omicron variant

Soumya Lipsa Rath, Aditya K. Padhi, Nabanita Mandal

Summary: The emergence of new SARS-CoV-2 variants poses a threat to the human population, and assessing their severity is challenging. This study compares the interaction of the wild-type and the latest Omicron variant using molecular dynamics simulations, revealing diverse changes in the properties of the mutated protein complex. These findings enhance our understanding of the binding mechanism between the Omicron variant and the wild-type SARS-CoV-2.

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2022)

Article Biophysics

Instrument-free, CRISPR-based diagnostics of SARS-CoV-2 using self-contained microfluidic system

Ziyue Li, Xiong Ding, Kun Yin, Lori Avery, Enrique Ballesteros, Changchun Liu

Summary: In this study, a simple, sensitive, and instrument-free diagnostic method for SARS-CoV-2 was developed using a self-contained microfluidic system. The system integrates amplification, CRISPR cleavage, and lateral flow detection, allowing contamination-free visual detection. The method showed excellent sensitivity, specificity, and accuracy when clinically validated with COVID-19 samples.

BIOSENSORS & BIOELECTRONICS (2022)

Article Biochemistry & Molecular Biology

Exploring the cancer-testis antigen BORIS to design a novel multi-epitope vaccine against breast cancer based on immunoinformatics approaches

Elham Mahdevar, Ashkan Safavi, Ardavan Abiri, Amirhosein Kefayat, Seyed Hossein Hejazi, Seyed Mohsen Miresmaeili, Vahid Iranpur Mobarakeh

Summary: A novel multi-epitope vaccine against breast cancer was designed using immunoinformatics approaches and computational methods, showing stability and immunogenicity with approximately 93% to 96% global population coverage for HLA-I and HLA-II. These preliminary results provide a suitable platform for further experimental investigations.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)

Article Biochemistry & Molecular Biology

Thiohydantoins as anti-leishmanial agents: n vitro biological evaluation and multi-target investigation by molecular docking studies

Priscila Goes Camargo, Bruna Taciane da Silva Bortoleti, Marcieli Fabris, Manoela Daiele Goncalves, Fernanda Tomiotto-Pellissier, Idessania Nazareth Costa, Ivete Conchon-Costa, Camilo Henrique da Silva Lima, Wander Rogerio Pavanelli, Marcelle de Lima Ferreira Bispo, Fernando Macedo Jr

Summary: Leishmaniasis is a neglected tropical disease with limited treatment options. Thiohydantoins, a class of substances, show promising anti-leishmanial activity against the parasite in vitro and low cytotoxicity to human cells. These compounds induce oxidative stress and a late apoptosis-like process in the parasites. Molecular docking analysis suggests that the thiohydantoin ring may serve as a pharmacophoric group.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)

Review Biology

How particular is the physics of the free energy principle?

Miguel Aguilera, Beren Millidge, Alexander Tschantz, Christopher L. Buckley

Summary: The free energy principle (FEP) proposes that any dynamical system can be seen as performing Bayesian inference on its environment. However, this study finds limitations in the applicability of FEP to concrete systems. The requirements of FEP have a narrow parameter space, and the absence of perception-action asymmetries in living systems interacting with the environment is highly unusual. Furthermore, a mathematical step in FEP assumes an equivalence that does not generally hold. These issues hinder the straightforward application of FEP to the simple linear systems studied here and call for further development.

PHYSICS OF LIFE REVIEWS (2022)