Article
Biochemistry & Molecular Biology
Saravanan Konda Mani, Ramesh Thiyagarajan, Olli Yli-Harja, Meenakshisundaram Kandhavelu, Akshaya Murugesan
Summary: The human GPR17 receptor acts as a biomarker for neurological diseases. Two isoforms, long and short, of GPR17 are found in human brain tissue. The structure of the long isoform has been studied, but the structure and activation mechanism of the short isoform remain unclear. In this study, the researchers modeled the structure of the short isoform and identified two distinct ligand binding sites. The binding of the endogenous ligand UDP was found to be stronger in both binding sites, suggesting its importance in the signaling and communication properties of GPR17. These findings may contribute to the development of targeted therapies for neurological diseases.
JOURNAL OF CELLULAR BIOCHEMISTRY
(2023)
Article
Geography, Physical
Yaguang Tao, Alan Both, Rodrigo I. Silveira, Kevin Buchin, Stef Sijben, Ross S. Purves, Patrick Laube, Dongliang Peng, Kevin Toohey, Matt Duckham
Summary: This paper systematically compares and explores five commonly used trajectory similarity measures, highlighting their similarities and differences in handling relative versus absolute time and space, tolerance to outliers, and computational efficiency. Empirical evaluation shows that choice of measure can impact similarity results, with measures generally better at distinguishing spatial differences in trajectories than temporal differences.
GISCIENCE & REMOTE SENSING
(2021)
Article
Chemistry, Medicinal
Rachel A. Rowlands, Qiuyan Chen, Renee A. Bouley, Larisa Avramova, John J. G. Tesmer, Andrew D. White
Summary: The ability of GRK2 and GRK5 to regulate GPCR desensitization makes them attractive targets for heart failure and cancer treatment. Previous research showed potential for selective inhibition of GRK5 over GRK2 using a specific residue, but the inhibitors were not very potent. A new study successfully adapted an indolinone scaffold with covalent warheads, creating compounds with high selectivity for GRK5 and low nanomolar potency.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Review
Engineering, Biomedical
Yuhong Jiang, Yuke Li, Xiujuan Fu, Yue Wu, Rujing Wang, Mengnan Zhao, Canquan Mao, Sanjun Shi
Summary: The translation article introduces the interaction between G protein-coupled receptors (GPCRs) and nanotechnology, as well as how nanotechnology can improve the efficacy and safety of GPCR-related drugs. Nanotechnology can encapsulate GPCR ligands to construct synthetic nano-GPCRs and precisely initiate sustained endosomal signal transduction through nanoparticles. Moreover, nanoparticles can enhance the potency of delivery systems by actively targeting specific cells through ligand-receptor binding and receptor-dependent endocytosis.
ACTA BIOMATERIALIA
(2023)
Article
Multidisciplinary Sciences
Janik B. Hedderich, Margherita Persechino, Katharina Becker, Franziska M. Heydenreich, Torben Gutermuth, Michel Bouvier, Moritz Buenemann, Peter Kolb
Summary: Researchers computationally describe alternative allosteric pockets in G-protein-coupled receptors, identifying nine previously untargeted sites for synthetic ligands. They further investigate the potential of modulating receptor function through ligand binding to these sites.
NATURE COMMUNICATIONS
(2022)
Article
Biochemistry & Molecular Biology
Pedro Renault, Jesus Giraldo
Summary: Computational tools have been used to estimate the druggability of allosteric sites in GPCRs, but predicting hydrophobic sites remains challenging. This study introduces a dynamics-based approach using experimental structures, normal mode analysis, and molecular dynamics simulations to identify allosteric sites in beta 2AR, GCGR, and M2 receptors, showing promising predictive value.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Pharmacology & Pharmacy
Lyndsay R. Watkins, Cesare Orlandi
Summary: Members of the GPCR family, including many less-studied orphan receptors, play important physiological roles and serve as attractive drug targets. A novel approach has been developed to detect G protein coupling in unliganded orphan GPCRs, shedding light on the pathophysiological processes associated with certain orphan receptors. This platform provides a valuable tool for ongoing studies in orphan receptor signalling and de-orphanization efforts.
BRITISH JOURNAL OF PHARMACOLOGY
(2021)
Article
Geriatrics & Gerontology
Yara K. Haddad, Ramakrishna Kakara, Zachary A. Marcum
Summary: The study found that sertraline may have a lower risk of recurrent falls compared to citalopram/escitalopram in older adults using antidepressant medication. These findings could greatly contribute to fall risk management and prescribing for older adults.
JOURNAL OF THE AMERICAN GERIATRICS SOCIETY
(2022)
Article
Environmental Sciences
Xiuchang Liu, Qiao Xue, Huazhou Zhang, Jianjie Fu, Aiqian Zhang
Summary: The study showed that different bisphenols can bind with GPER to form complexes, with van der Waals interactions and direct intermolecular electrostatic energies providing the driving forces for ligand binding. However, bulky substituents and structural rigidity significantly impair hydrogen bonding between GPER and the bisphenols, resulting in decreased contribution of key residues.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Review
Neurosciences
Sharaf E. Sharaf
Summary: In the CNS, GPCRs are important targets for neuropharmacological drugs and have been linked to the risk of psychiatric disorders. Although the biological mechanisms of these disorders are uncertain, GPCRs play a crucial role in diagnosing and treating ailments such as mood disorders and schizophrenia. However, the development of novel psychiatric medications has been hindered due to the complexity of these disorders.
CNS & NEUROLOGICAL DISORDERS-DRUG TARGETS
(2023)
Review
Biophysics
George Khelashvili, Anant K. Menon
Summary: The rapid flip-flop of phospholipids across the two leaflets of biological membranes is crucial for many aspects of cellular life. G protein-coupled receptors (GPCRs), such as opsins, exhibit constitutive scramblase activity in vitro, with opsins scrambling lipids at a unitary rate of >100,000 per second. This review discusses the physiological significance of GPCR scramblase activity and its regulation in cells.
ANNUAL REVIEW OF BIOPHYSICS
(2022)
Article
Biotechnology & Applied Microbiology
Dexiang Huang, Bing Zhang, Tao Han, Guangbin Liu, Xu Chen, Zihao Zhao, Jiaqian Feng, Jingwen Yang, Tianming Wang
Summary: The study classified and analyzed G protein-coupled receptors in sea cucumbers, identifying several signaling pathways related to reproduction, including neuroactive ligand-receptor interaction, the mTOR and Wnt signaling pathways. Transcriptome analysis revealed hundreds of GPCRs expressed in the reproductive organs of sea cucumbers, with 7 ovary and 8 testis-specific GPCRs identified.
Article
Plant Sciences
Rong Zhao, Shuyue Yin, Jianing Xue, Chang Liu, Yanping Xing, Haibo Yin, Xue Ren, Jixiang Chen, Dingding Jia
Summary: Three species of Gentiana were the main source for traditional Chinese medicine Longdan. A new taxonomic classification for Gentiana was proposed based on the chloroplast genomes and phylogenetic analyses, providing a theoretical foundation for molecular evolutionary research of Gentiana.
PHYSIOLOGY AND MOLECULAR BIOLOGY OF PLANTS
(2022)
Article
Engineering, Electrical & Electronic
Amar Ramapuram-Matavalam, Syed Muhammad Hur Rizvi, Anurag Srivastava, Venkataramana Ajjarapu
Summary: This paper presents a detailed qualitative and quantitative comparative analysis of measurement based centralized voltage stability monitoring approaches using Thevenin equivalent. The performance metrics for comparison include computation resources required, accuracy of identifying the critical loading point, critical contingency screening, and robustness to noise. The results of this systematic comparison will help utilities and operators make informed decisions on the specific method to use for their needs in large systems.
IEEE TRANSACTIONS ON POWER SYSTEMS
(2022)
Article
Biotechnology & Applied Microbiology
Hailey E. Beal, Nicole A. Horenstein
Summary: Azasugars are monosaccharide analogs with potential therapeutic applications. This study identified characteristic gene clusters for bacterial azasugar biosynthesis and hundreds of putative clusters in microbial species using bioinformatics tools. Most clusters were found in bacteria and fungi commonly inhabiting soil and the rhizosphere, with some clusters associated with diverse species.
Article
Biochemical Research Methods
Narsimha Nagula, Sudeepa Kunche, Mohmed Jaheer, Ravi Mudavath, Sreekanth Sivan, Sarala Devi Ch
JOURNAL OF FLUORESCENCE
(2018)
Article
Chemistry, Multidisciplinary
Srilata Ballu, Ramesh Itteboina, Sree Kanth Sivan, Vijjulatha Manga
STRUCTURAL CHEMISTRY
(2018)
Article
Biology
Srilata Ballu, Ramesh Itteboina, Sree Kanth Sivan, Vijjulatha Manga
COMPUTATIONAL BIOLOGY AND CHEMISTRY
(2018)
Article
Biochemistry & Molecular Biology
Srilata Ballu, Ramesh Itteboina, Sree Kanth Sivan, Vijjulatha Manga
JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION
(2018)
Article
Oncology
Sravani Akula, Swapna Kamasani, Sree Kanth Sivan, Vijjulatha Manga, Dashavantha Reddy Vudem, Rama Krishna Kancha
JOURNAL OF THORACIC ONCOLOGY
(2018)
Article
Chemistry, Multidisciplinary
Saikiran Reddy Peddi, Nihaya Abdulsattear Mohammed, Ammar Adil Hussein, Sree Kanth Sivan, Vijjulatha Manga
STRUCTURAL CHEMISTRY
(2018)
Article
Chemistry, Multidisciplinary
Saikiran Reddy Peddi, Sree Kanth Sivan, Vijjulatha Manga
STRUCTURAL CHEMISTRY
(2018)
Article
Biology
RamaKrishna Munnaluri, Saikiran Reddy Peddi, Sree Kanth Sivan, Vijjulatha Manga
COMPUTATIONAL BIOLOGY AND CHEMISTRY
(2019)
Article
Biochemistry & Molecular Biology
Revanth Bathula, Goverdhan Lanka, Narasimha Muddagoni, Mahendar Dasari, Sravanthi Nakkala, Manan Bhargavi, Gururaj Somadi, Sree Kanth Sivan, Sarita Rajender Potlapally
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2020)
Article
Biochemistry & Molecular Biology
Radhika Vangala, Sree Kanth Sivan, Saikiran Reddy Peddi, Vijjulatha Manga
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
(2020)
Article
Biochemistry & Molecular Biology
Sudhir Reddy Peddi, Saikiran Reddy Peddi, Sreekanth Sivan, Radhika Veerati, Vijjulatha Manga
JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION
(2020)
Article
Chemistry, Multidisciplinary
Gururaj Somadi, Sree Kanth Sivan
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
(2020)
Article
Chemistry, Applied
Leena Carlin Sandhepogu Thomas, Sree Kanth Sivan, Annapurna Padmavathi Devarakonda, Sireesha Berley
Summary: In this study, the synthesis and characterization of Ni(II) and Cu(II) chelates of 1-(4'-nitrobenzoyl)-3-thiosemicarbazide (PNBTSC, HL) were investigated. The chelates exhibited tetragonally distorted octahedral geometry and showed thermal stability. The molecular properties and DNA binding affinities of the chelates were also studied. The results suggested that the chelates had high reactivity and showed intercalative mode of binding with DNA. Furthermore, the chelates demonstrated significant antimicrobial activity against both Gram positive and Gram negative bacteria.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Ramesh Itteboina, Srilata Ballu, Sree Kanth Sivan, Vijjulatha Manga
JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION
(2018)
Article
Chemistry, Medicinal
Sowmya Vanguru, Lavanya Jilla, Yasodakrishna Sajja, Rajashaker Bantu, Lingaiah Nagarapu, Jagadeesh Babu Nanubolu, Bala Bhaskar, Nishant Jain, Sreekanth Sivan, Vijjulatha Manga
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2017)