A5100765302- Computational Drug Discovery Methods
- SARS-CoV-2 and COVID-19 Research
- Generative Adversarial Networks and Image Synthesis
- COVID-19 Pandemic Impacts
- COVID-19 epidemiological studies
- Drug Transport and Resistance Mechanisms
- Systemic Lupus Erythematosus Research
- Monoclonal and Polyclonal Antibodies Research
- Reproductive Biology and Fertility
- Tracheal and airway disorders
- Cystic Fibrosis Research Advances
- Cytokine Signaling Pathways and Interactions
- NF-κB Signaling Pathways
- Face recognition and analysis
- Immune Response and Inflammation
- Renal and related cancers
- Speech and Audio Processing
- Flavonoids in Medical Research
- Pharmacogenetics and Drug Metabolism
- Advanced Image Processing Techniques
- Cell death mechanisms and regulation
- Agriculture, Soil, Plant Science
- Topic Modeling
- Genomics, phytochemicals, and oxidative stress
- Cancer, Hypoxia, and Metabolism
Beihua University
2025
Peking University
2015-2025
Peking University Third Hospital
2020-2025
Shenzhen University
2024
Chengdu Tiger Microwave Technology (China)
2024
Zhejiang A & F University
2024
Beijing Academy of Agricultural and Forestry Sciences
2022
Center for Life Sciences
2015-2022
Beijing National Laboratory for Molecular Sciences
2015-2022
Ministry of Agriculture and Rural Affairs
2022
COVID-19 has become a global pandemic and there is an urgent call for developing drugs against the virus (SARS-CoV-2). The 3C-like protease (3CLpro) of SARS-CoV-2 preferred target broad spectrum anti-coronavirus drug discovery. We studied anti-SARS-CoV-2 activity S. baicalensis its ingredients. found that ethanol extract major component, baicalein, inhibit 3CLpro in vitro with IC50's 8.52 µg/ml 0.39 µM, respectively. Both them replication Vero cells EC50's 0.74 2.9 While baicalein mainly...
Abstract The novel coronavirus (SARS-CoV-2/2019-nCoV) identified in Wuhan, China, December 2019 has caused great damage to public health and economy worldwide with over 140,000 infected cases up date. Previous research suggested an involvement of meteorological conditions the spread droplet-mediated viral diseases, such as influenza. However, for recent coronavirus, few studies have discussed systematically about role daily weather epidemic transmission virus. Here, we examine relationships...
Dear Editor
Abstract COVID-19 has become a global pandemic that threatens millions of people worldwide. There is an urgent call for developing effective drugs against the virus (SARS-CoV-2) causing this disease. The main protease SARS-CoV-2, 3C-like (3CL pro ), highly conserved across coronaviruses and essential maturation process viral polyprotein. Scutellariae radix (Huangqin in Chinese), root Scutellaria baicalensis been widely used traditional Chinese medicine to treat infection related symptoms....
OATP1B, P‐gp, BCRP, and CYP3A are the most contributing drug‐metabolizing enzymes or transporters (DMETs) for commonly prescribed medication. Their activities may change in end‐stage renal disease (ESRD) patients with large inter‐individual variabilities (IIVs), leading to altered substrate drug exposure ultimately elevated safety risk. However, changing extent indictive influencing factors not quantified so far. Here, a microdose cocktail regimen containing five sensitive drugs...
Regional folk songs have a rich history and are filled with cultural values. In this paper, first, the style characteristics of regional briefly introduced. Using four from northwest, northeast, southwest, Hakka as examples, time domain, frequency mel-frequency cepstral coefficient (MFCC) features were extracted. Finally, bidirectional long short-term memory (BiLSTM)-based music classification algorithm is used to realize different regions. It was found that using time-frequency domain +...
Objectives: Physiologically based pharmacokinetic (PBPK) modeling is widely accepted for predicting pharmacokinetics (PK) in chronic kidney disease (CKD) patients to support drug development and precision medicine. However, PBPK model has not been established nonrenal clearance pathways of end-stage renal (ESRD) due the scarcity clinical data. In this study, we aim develop models CYP3A4, OATP1B, P-gp BCRP using a microdose cocktail PK data Chinese ESRD patients. Methods: healthy volunteers...
Abstract Background Congenital absence of vas deferens ( CAVD ) is a major cause obstructive azoospermia. Mutations in CFTR and ADGRG 2 are responsible for this disease. However, until now the genetic spectrum genes Chinese population reasons differences from Caucasian cohorts were not clear. Objectives (i) To study characteristic functional consequences mutations patients. (ii) describe patients explain cystic fibrosis CF Materials Methods Patients screened by Sanger sequencing. with only...
Abstract Though many studies have been performed to elucidate molecular mechanism of traditional Chinese medicines (TCMs) by identifying protein-compound interactions, no systematic analysis at herb level was reported. TCMs are prescribed herbs and all compounds from a certain should be considered as whole, thus may provide comprehensive understanding TCMs. Here, we proposed computational strategy study TCM used it analyze anti-HIV formula. Herb-target network carried out between 17...
Objective The strong genetic contribution of the major histocompatibility complex (MHC) region to rheumatoid arthritis (RA) has been generally attributed human leukocyte antigen ( HLA)-DRB1 . However, due high polymorphisms and linkage disequilibrium within MHC, it is difficult define novel and/or independent risks using conventional HLA genotyping or chip-based microarray technology. This study aimed identify RA risk variants by performing deep sequencing for MHC. Methods We first conducted...
This study aims to investigate the relationship between daily weather and transmission rate of SARS-CoV-2, develop a generalised model for future prediction COVID-19 spreading certain area with meteorological factors.
Although natural herbs have been a rich source of compounds for drug discovery, identification bioactive components from suffers low efficiency and prohibitive cost the conventional bioassay-based screening platforms. Here we develop new strategy that integrates virtual screening, affinity mass spectrometry (MS) targeted metabolomics efficient discovery herb-derived ligands towards specific protein target site. Herb-based conveniently selects potential bioactivity whereas MS combined with...
Abstract Background Fertilization failure (FF) is a complex reproductive disorder characterized by the of pronuclei formation during fertilization. In addition to some cases caused iatrogenic problems and known genetic factors, there are still many unexplained aspects FF. Here, we aimed assess clinical characteristics two families experiencing primary infertility with Methods We have from China. All infertile couples presented similar phenotypes, that is, partial or total fertilization in...
Abstract Background Currently, pathophysiological mechanisms of post‐acute sequelae coronavirus disease‐19‐cardiovascular syndrome (PASC‐CVS) remain unknown. Methods and results Patients with PASC‐CVS exhibited significantly higher circulating levels severe acute respiratory syndrome‐coronavirus‐2 spike protein S1 than the non‐PASC‐CVS patients healthy controls. Moreover, individuals high plasma concentrations elevated heart rates normalized low frequency, suggesting cardiac β‐adrenergic...
Natural products (NPs) are a rich source of drug discovery, and some them act by covalently binding to the targets. Recently, targeted covalent natural product (TCNP) design has gained considerable attention since this approach offers significant benefits in improving biological efficacy decreasing off-target side effects. However, most known TCNPs were discovered chance. Rational approaches for systematic screen much needed. Here, we developed combined computational experimental carry out...
Human beings perceive the world through diverse senses such as sight, smell, hearing, and touch. Similarly, multimodal large language models (MLLMs) enhance capabilities of traditional by integrating processing data from multiple modalities including text, vision, audio, video, 3D environments. Data plays a pivotal role in development refinement these models. In this survey, we comprehensively review literature on MLLMs data-centric perspective. Specifically, explore methods for preparing...
A novel compound binding with inactive IKKβ and allosterically blocking its activation.
Despite the approval of multiple vaccinations in different countries, majority world’s population remains unvaccinated due to discrepancies vaccine distribution and limited production capacity. The SARS-CoV-2 RBD-ACE2 complex (receptor binding domain that binds ACE2) could be a suitable target for development or an inhibitor. Various natural products have been used against SARS-CoV-2. Here, we docked 42 active cannabinoids site SARS-CoV RBD-ACE2. To ensure flexibility stability produced...
Circadian clock governs a large array of physiological and metabolic functions. The amplitude decline circadian rhythm is associated with various chronic diseases. However, few enhancing-molecules are known. CRY1 one the main components core its binding CLOCK leads to decreased transcriptional activity. Thus, compounds interfering CRY1-CLOCK interaction may enhance rhythm. Natural products rich sources drug discovery herb-based virtual screen provides an efficient way identify active herbs....
Von Hippel–Lindau (VHL) disease is a rare autosomal dominant inherited cancer syndrome that characterized by hemangioblastomas in the central nervous system and retina, renal cell carcinoma cysts, pancreatic tumors pheochromocytoma. The underlying gene this VHL tumor suppressor gene. We family with 2 affected siblings. brother sister displayed type 2B 2A features, respectively. Renal lesions exhibited 3 different phenotypes, including simple multilocular cystic clear carcinoma. phenotypes of...