Bharathkumar Nagaraj’s Post

📢 Thrilled to share our latest publication! Our study, "SARS-CoV-2 variants and bebtelovimab: immune escape mechanisms revealed by computational studies," has been accepted in Physical Chemistry Chemical Physics. This research delves into the molecular dynamics of how mutations in the receptor binding domain (RBD) of SARS-CoV-2 impact the binding efficacy of the monoclonal antibody, bebtelovimab. We used advanced computational techniques, including molecular dynamics simulations and enhanced sampling methods, to uncover critical insights into how specific mutations can alter antibody-RBD interactions. This work highlights residues responsible for changes in binding efficacy across variants like wild-type, delta, and omicron. A heartfelt thanks to my senior, Rakesh Roy, for his invaluable mentorship, and to my supervisor, Dr. Niladri Patra, for his guidance and support throughout this project. Check out the full details in the journal to learn more about our findings! DOI : https://lnkd.in/gcGNHwVs #Research #ComputationalChemistry #SARSCoV2 #AntibodyEngineering #MolecularDynamics

Last week we took some time to visit Professor Tobias Madl, Head of the Division of Medicinal Chemistry at the Medizinische Universität Graz. 😊 It was time to document the official handover of our BRAVE B-Curious nanoparticle analyzer. 🎉 👩🔬📝 👨🔬 This BRAVE B-Curious will make a contribution to research into metabolomics, e.g. how the molecular mechanisms of disordered proteins regulate signal transduction, intracellular transport and phase separation. These investigations help understand how modifications in signal transduction pathways affect the ageing process and the development of cancers and neurodegenerative illnesses. We are excited about the research team’s upcoming publications in this field! #alzheimersresearch #llps #biocondensates #structuralbiology

#Journal_Club sessions will start on Tuesday, Jan 4, 2021, 7-8 pm (Tehran time zone), and it hopefully continues every Tuesday. This week we will take a look at this paper: "Current trends in computer-aided drug design and a highlight of drugs discovered via computational techniques: A review." Lecturer: Dr. Elaheh Kashani-Amin (https://lnkd.in/gH_tXDf7) PhD, Molecular Medicine, Protein Molecular Modeling and Computer-aided Drug Design Would you like to take part in the journal club? Please send a note to [email protected] to receive the meeting link. #drugdesign #molecularbiology #computeraideddesign #molecularmodeling

The June issue of #MetaboNews is out now! https://lnkd.in/g93YZWkk We had the pleasure of interviewing for Dr. Matej Oresic for our #MetaboInterview of the month. Matej is a professor of medicine (systems medicine) at Örebro University (Sweden) and professor of biochemistry (metabolomics) at the University of Turku (Finland). His research areas involve exposomics and metabolomics applications in biomedical research and systems medicine. In his interview, Matej discusses the high diversity of the Metabolomics community and the persisting unknowns still needing to be discovered as two of the greatest strengths of metabolomics today. Read to learn more about the two European collaborative projects which Matej is coordinating along with his views on how funding opportunities and metabolomic standards play a role in the growth of the metabolomics field. #Metabolomics #Multiomics #Bioinformatics #Health #Lipidomics #Exposomics

I am happy to share that my research article has been published in the Archives of Biochemistry and Biophysics Journal. It feels incredibly special as this is first one, and I’m filled with gratitude. I would like to extend my heartfelt thanks to my supervisor, Prof. Pravindra Kumar (Deshwal) and co-supervisor, Prof. A.K. Sharma, for their constant support, guidance, and invaluable scientific input throughout this work. A big congratulations and thank you to all my co-authors for their contributions and collaboration. I also thanks to all my lab mates and friends for their support. In this research article we successfully determined the X-ray crystal structure of DAHP Synthase, the first enzyme in the shikimate pathway, which plays a crucial role in regulating this pathway. Interestingly, we also identified quinic acid, a compound found in coffee seeds, as a potential inhibitor of DAHP Synthase. Further validated through biochemical and biophysical experiments. This journey has been immensely rewarding, and I’m so grateful for the experience and knowledge I’ve gained along the way. If you’re interested, check out the details of our work here: [https://lnkd.in/gXxiEE_b]. #StructuralBiology #DrugDiscovery #iitroorkee #X_ray_crystallogrpahy #science #PhDJourney #Research #FirstPublication

#analyticalchemistry news Understanding the complexities of #biochemistry can be a daunting task, but groundbreaking research often brings us one step closer to clarity. Today, I want to share an intriguing study recently published in "Analytical #Chemistry" that delves into the innovative quantification of aminophospholipids, crucial molecules that play significant roles in cellular physiology. This research, spearheaded by experts including Shuling Xu and Lingjun Li, employs a cutting-edge technique known as isotopic N,N-dimethyl leucine labeling combined with high-resolution ion mobility mass spectrometry, HRIM-MS,. This approach allows scientists to quantify aminophospholipids with unprecedented precision by resolving their sn-position—a crucial aspect for understanding lipid function and dynamics in biological membranes. The significance of these advancements cannot be overstated. By refining our ability to analyse aminophospholipids, this study opens new avenues for researchers to explore the underlying mechanisms of diseases where lipid imbalance is a factor, such as neurodegenerative disorders and metabolic syndromes. While the #scientific community benefits directly from this innovation, the broader public stands to gain as well; enhanced insights into lipid biochemistry could accelerate the development of targeted therapies, ultimately improving healthcare outcomes. By bridging the gap between complex molecular science and practical applications, this research exemplifies how interdisciplinary approaches in #analyticalchemistry can lead to impactful discoveries. For those curious about the intricacies of this study, I invite you to explore more by following this link: [URL]. In our rapidly evolving world, such research not only fuels scientific curiosity but also propels us towards a future where precision in medicine is tangible in our everyday lives. As we continue to unveil the complexities of #chemistry, it's worth recognising the profound impact these scientific advancements have on our quality of life and well-being. #Science #Chemistry #Innovation #MassSpectrometry #HealthcareAdvancement #Biochemistry #Research, If you want to know more about #analyticalchemistry news, follow me: https://lnkd.in/d29pbjb9

#Journal_Club Session 9 The Journal Club will be held on Tuesday April 26, 2022, from 7:00 PM to 8:00 PM. in this session we will disscus the aricle titled: "Molecular dynamics simulations and novel drug discovery" Lecturer: Dr. Elaheh Kashani-Amin (https://lnkd.in/gH_tXDf7) PhD, Molecular Medicine, Protein Molecular Modeling and Computer-aided Drug Design The highlights are: ● MD simulations have a special advantage in exploring the conformational space of proteins and displaying the dynamic processes of structural changes. ● Amyloidosis is caused by the misfolding and aggregation of the related protein ● MD simulations can provide details of the misfolding and aggregation process ● MD simulations can improve the enrichment factor of virtual screening by considering multiple target conformations. ● To improve the efficiency of lead optimization, MD simulations can be used to obtain accurate binding modes. The sessions are free of charge. To register and receive the group link, please contact us via email: Email: [email protected] Social Media Links: - Telegram: @molecular_modeling - Instagram: @go_molecular_modeling #drugdesign #computationaldesign #molecularmodeling #computationalbiology #computationalchemistry #molecular_docking #molecular_Dynamics_simulation #MD_simulation #homology_modeling #CADD #pharmacophore

Ready to be amazed by the global impact of MUSC pharmacy's research faculty? Data recently released by research.com shows that John Lemasters, Danyelle Townsend, and Mark Hamann were among the most cited Biology and Biochemistry scientists in the world! 🌍🔬 “The importance of their work is reflected by its reach and utilization in the global scientific community. They are luminaries in our very important research program.” - Yuri Peterson, interim co-chair of the Department of Drug Discovery and Biomedical Sciences. To learn more about these esteemed faculty and their work, please visit: https://ow.ly/QlAq50SIBFt

🚨 Expressions of interest! We are seeking outstanding researchers to apply for #MSCA PF 2024. 🗓 EoI Deadline: June 10th Find here some research topics proposed by our host supervisors ⬇️ 🚦 New peptide and structural motifs to control the membrane translocation nucleic acids (Supervisor: Javier Montenegro) 🔑 Metal-catalyzed c-h and c-c activation strategies: enantioselective access to biorelevant heteocycles (Supervisor: Fernando Lopez Garcia) ⚗ Small molecule reprogramming endogenous anticancer responses in the tumor microenvironment (Supervisor: Eddy Sotelo) 🔗 Design, synthesis and characterization of large aromatic molecules and nanographenes (Supervisor: Diego Peña)   More research topics & submission details 👇 https://lnkd.in/dt5pAKzX #FEDERGalicia #SomosCIGUS

Good news for patients with diabetes: new technique tracks blood sugar with light. A research team led by Tomoya Nakazawa of Hamamatsu Corporation Photonics (Japan) recently developed a novel methodology to estimate BGLs from NIR measurements. Their work, which could revolutionize noninvasive blood glucose monitoring, was published in the Journal of Biomedical Optics. Read: https://lnkd.in/ekzTg_wf #sciencesdelavie #biotechnologie #biotechnology #innovation #innovations #recherche #sciences #medicaments #research #drugresearch #laboratories #labs #chemistry #chimie #biology #biologie #biopharma #rna #rnatherapeutics #arn #wewillwin