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Structural Basis for Complementary and Alternative Medicine:Phytochemical Interaction with Non-Structural Protein 2 Protease-A Reverse Engineering Strategy

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Chinese Journal of Integrative Medicine 2015年第6期21卷 445-452页

作者： g.Koushik Kumar g.prasanna T.Marimuthu N.T.Saraswathi Molecular Biophysics Laboratory School of Chemical and BiotechnologyShanmuga Arts Science Technology Research Academy University Assistant Medical Officer Goverment Hospital

Objective： To understand the druggability of the bioactive compounds from traditional herbal formulations ＂Nilavembu Kudineer＂ and ＂Swasthya Raksha Amruta Peya＂ to heal chikungunya virus （CHIKV） infection. Methods： The efficiency of twenty novel chemical entities from ＂Nilavembu Kudineer＂ and ＂Swasthya Raksha Amruta Peya＂ to inhibit CHIKV infection in silico were evaluated. Ligands were prepared using Ligprep module of Schr0dinger. Active site was identified using SiteMap program. grid box was generated using receptor grid generation wizard. Molecular docking was carried out using grid Based Ligand Docking with Energetics （gLIDE） program. Results： Molecular docking studies showed that among twenty compounds, andrographoside, deoxyandrographoside, neoandrographolide, 14-deoxy-11-oxoandrographolide, butoxone and oleanolic acid showed gLIDE extra precision （XP） score of-9.10,-8.72, -8.25,-7.38,-7.28 and -7.01, respectively which were greater than or comparable with chloroquine （reference compound） XP score （-7.08） and were found to interact with the key residues gLLI 1043, LYS 1045, gLY 1176, LEU 1203, HIS 1222 and LYS 1239 which were characteristic functional unit crucial for replication of CHIKV. Conclusion： The binding affinity and the binding mode of chemical entities taken from herbal formulations with non-structural protein 2 protease were understood and our study provided a novel strategy in the development and design of drugs for CHIKV infection.

关键词： chikungunya virus non-structural protein 2 protease grid Based Ligand Docking with Energetics score Nilavembu Kudineer Swasthya Raksha Amruta Peya

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AutoRhythmAI: A Hybrid Machine and Deep Learning Approach for Automated Diagnosis of Arrhythmias

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Computers, Materials & Continua 2024年第2期78卷 2137-2158页

作者： S.Jayanthi S.prasanna Devi Department of Computer Science and Engineering SRM Institute of Science and Technology-Vadapalani CampusChennaiTamil NaduIndia

In healthcare,the persistent challenge of arrhythmias,a leading cause of global mortality,has sparked extensive research into the automation of detection using machine learning(ML)***,traditional ML and AutoML approaches have revealed their limitations,notably regarding feature generalization and automation *** glaring research gap has motivated the development of AutoRhythmAI,an innovative solution that integrates both machine and deep learning to revolutionize the diagnosis of *** approach encompasses two distinct pipelines tailored for binary-class and multi-class arrhythmia detection,effectively bridging the gap between data preprocessing and model *** validate our system,we have rigorously tested AutoRhythmAI using a multimodal dataset,surpassing the accuracy achieved using a single dataset and underscoring the robustness of our *** the first pipeline,we employ signal filtering and ML algorithms for preprocessing,followed by data balancing and split for *** second pipeline is dedicated to feature extraction and classification,utilizing deep learning ***,we introduce the‘RRI-convoluted trans-former model’as a novel addition for binary-class *** ensemble-based approach then amalgamates all models,considering their respective weights,resulting in an optimal model *** our study,the VggRes Model achieved impressive results in multi-class arrhythmia detection,with an accuracy of 97.39%and firm performance in precision(82.13%),recall(31.91%),and F1-score(82.61%).In the binary-class task,the proposed model achieved an outstanding accuracy of 96.60%.These results highlight the effectiveness of our approach in improving arrhythmia detection,with notably high accuracy and well-balanced performance metrics.

关键词： Automated machine learning neural networks deep learning arrhythmias

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Fitness Sharing Chaotic Particle Swarm Optimization (FSCPSO): A Metaheuristic Approach for Allocating Dynamic Virtual Machine (VM) in Fog Computing Architecture

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Computers, Materials & Continua 2024年第8期80卷 2557-2578页

作者： prasanna Kumar Kannughatta Ranganna Siddesh gaddadevara Matt Chin-Ling Chen Ananda Babu Jayachandra Yong-Yuan Deng Department of Computer Science&Engineering Ramaiah Institute of TechnologyBangalore560054India Department of Artificial Intelligence&Data Science Ramaiah Institute of TechnologyBangalore560054India School of Information Engineering Changchun Sci-Tech UniversityChangchun130600China Department of Computer Science and Information Engineering Chaoyang University of TechnologyTaichung41349Taiwan Department of Information Science and Engineering Malnad College of EngineeringHassan573202India

In recent decades,fog computing has played a vital role in executing parallel computational tasks,specifically,scientific workflow *** cloud data centers,fog computing takes more time to run workflow ***,it is essential to develop effective models for Virtual Machine(VM)allocation and task scheduling in fog computing *** task scheduling,VM migration,and allocation,altogether optimize the use of computational resources across different fog *** process ensures that the tasks are executed with minimal energy consumption,which reduces the chances of resource *** this manuscript,the proposed framework comprises two phases:(i)effective task scheduling using a fractional selectivity approach and(ii)VM allocation by proposing an algorithm by the name of Fitness Sharing Chaotic Particle Swarm Optimization(FSCPSO).The proposed FSCPSO algorithm integrates the concepts of chaos theory and fitness sharing that effectively balance both global exploration and local *** balance enables the use of a wide range of solutions that leads to minimal total cost and makespan,in comparison to other traditional optimization *** FSCPSO algorithm’s performance is analyzed using six evaluation measures namely,Load Balancing Level(LBL),Average Resource Utilization(ARU),total cost,makespan,energy consumption,and response *** relation to the conventional optimization algorithms,the FSCPSO algorithm achieves a higher LBL of 39.12%,ARU of 58.15%,a minimal total cost of 1175,and a makespan of 85.87 ms,particularly when evaluated for 50 tasks.

关键词： Fog computing fractional selectivity approach particle swarm optimization algorithm task scheduling virtual machine allocation

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High-throughput computational screening and in vitro evaluation identifies 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione(C3),as a novel EgFR—HER2 dual inhibitor in gastric tumors

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Oncology Research 2024年第2期32卷 251-259页

作者： MESFER AL SHAHRANI REEM gAHTANI MOHAMMAD ABOHASSAN MOHAMMAD ALSHAHRANI YASSER ALRAEY AYED DERA MOHAMMAD RAJEH ASIRI prasanna RAJAgOPALAN Department of Clinical Laboratory Sciences College of Applied Medical SciencesKing Khalid UniversityAbhaSaudi Arabia

gastric cancers are caused primarily due to the activation and amplification of the EgFR or HER2 kinases resulting in cell proliferation,adhesion,angiogenesis,and *** therapies are ineffective due to the intra-tumoral heterogeneity and concomitant genetic ***,dual inhibition strategies are recommended to increase potency and reduce *** this study,we have conducted computational high-throughput screening of the ChemBridge library followed by in vitro assays and identified novel selective inhibitors that have a dual impediment of EgFR/HER2 kinase ***-based High-throughput Virtual Screening(D-HTVS)was used to screen the whole ChemBridge small molecular library against EgFR and *** atomistic molecular dynamic simulation was conducted to understand the dynamics and stability of the protein-ligand ***/HER2 kinase enzymes,KATOIII,and Snu-5 cells were used for in vitro *** atomistic Molecular Dynamics simulations followed by solvent-based gibbs binding free energy calculation of top molecules,identified compound C3(5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione)to have a good affinity for both EgFR and *** predicted compound,C3,was promising with better binding energy,good binding pose,and optimum interactions with the EgFR and HER2 residues.C3 inhibited EgFR and HER2 kinases with IC50 values of 37.24 and 45.83 nM,*** gI50 values of C3 to inhibit KATOIII and Snu-5 cells were 84.76 and 48.26 nM,*** on these findings,we conclude that the identified compound C3 showed a conceivable dual inhibitory activity on EgFR/HER2 kinase,and therefore can be considered as a plausible lead-like molecule for treating gastric cancers with minimal side effects,though testing in higher models with pharmacokinetic approach is required.

关键词： Dual inhibitor Drug discovery EgFR/HER2 kinase gastric cancer High-throughput screening

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Intraocular lens selection in diabetic patients:How to increase the odds for success

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World Journal of Diabetes 2024年第6期15卷 1199-1211页

作者： Arvind Kumar Morya Prateek Nishant prasanna Venkatesh Ramesh Sony Sinha Aarti Heda Sarika Salodia Ripunjay Prasad Department of Ophthalmology All India Institute of Medical SciencesHyderabad 508126TelanganaIndia Department of Ophthalmology ESIC Medical CollegePatna 801113BiharIndia Department of glaucoma and Research Mahathma Eye Hospital Private LimitedTrichy 620017Tamil NaduIndia Department of Ophthalmology-Vitreo-Retina Neuro-Ophthalmology and OculoplastyAll India Institute of Medical SciencesPatnaPatna 801507BiharIndia Department of Ophthalmology National Institute of OphthalmologyPune 411000MaharashtraIndia Department of Safety Global Medical SafetyLundbeckSingapore 307591Singapore Department of Ophthalmology RP Eye InstituteDelhi 110001India

The incidence of cataracts is significantly higher in diabetic individuals,particularly in younger age groups,with rates quadrupled in those under 65 and doubled in those over 65 compared to *** surgery in diabetic patients poses many challenges:Poor epithelial healing,decreased corneal sensitivity,increased central corneal thickness,decreased endothelial cell count,variable topography,poor pupillary dilatation,anterior capsular phimosis,posterior capsular opacification(PCO),chances of progression of diabetic retinopathy(DR),zonular weakness,and vitreous prolapse and diabetic macular *** of an appropriate intraocular lens(IOL)is crucial for visual rehabilitation and monitoring *** choice of IOL in diabetic cataract patients is a challenging ***-edge IOLs are favored for their capacity to mitigate PCO,whereas hydrophilic counterparts may incur calcification in the setting of proliferative *** advisability of premium IOLs for achieving spectacle independence warrants judicious evaluation,particularly in the presence of advanced *** IOL placement within the capsular bag is advocated to minimize postoperative *** preoperative assessment and informed patient counseling regarding IOL options are indispensable for optimizing surgical *** review article covers various aspects regarding the choice of IOLs in different case scenarios and complications in the diabetic population.

关键词： Diabetics Cataract Intraocular lens Diabetic retinopathy Diabetes mellitus

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Navigating the intersection of psychiatry and ophthalmology:A comprehensive review of depression and anxiety management in glaucoma patients

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World Journal of Psychiatry 2024年第3期14卷 362-369页

作者： prasanna Venkatesh Ramesh Arvind Kumar Morya Ashik Azad Pavithra Pannerselvam Aji Kunnath Devadas Sai Thaejesvi gopalakrishnan Shruthy Vaishali Ramesh Ajanya K Aradhya Department of glaucoma and Research Mahathma Eye Hospital Private LimitedTrichy 620017Tamil NaduIndia Department of Ophthalmology All India Institute of Medical SciencesHyderabad 508126TelanganaIndia Department of Optometry and Visual Science Mahathma Eye Hospital Private LimitedTrichy 620017Tamil NaduIndia Junior Resident Mahathma Eye Hospital Private LimitedTrichy 620017Tamil NaduIndia Department of Cataract and Refractive Surgery Mahathma Eye Hospital Private LimitedTrichy 620017Tamil NaduIndia

glaucoma,a prevalent and debilitating eye disease,has long been associated with vision impairment and ***,recent research has shed light on the often-underestimated psychological dimensions of this *** and depression,two pervasive psychiatric comorbidities,have been increasingly recognized among glaucoma *** comprehensive review aims to explore the intricate relationship between psychiatry and ophthalmology,in the context of managing depression and anxiety in glaucoma *** meticulously examining peer-reviewed literature,we synthesize current knowledge on the prevalence,risk factors,and underlying mechanisms of anxiety and depression in *** evidence reveals that glaucoma patients face an elevated risk of experiencing these mood *** such as progressive vision loss,complex medication regimens,and the fear of further visual deterioration contribute to their ***,we delve into the bidirectional relationship between glaucoma and mood disorders,shedding light on the complex interplay between ocular and emotional *** review investigates the implications of anxiety and depression on glaucoma management,including their potential impact on treatment adherence,disease progression,and overall quality of *** also explore the neurobiological pathways linking glaucoma and mood disorders,providing a foundation for future research and potential therapeutic *** conclusion,recognizing the psychological burden carried by glaucoma patients is essential for holistic and patient-centered *** review underscores the pressing need for integrated approaches that bring together ophthalmological and psychiatric expertise to optimize the well-being of individuals facing the challenges of *** addressing anxiety and depression in glaucoma care,healthcare providers can enhance the overall quality of life for these patients,ultimately leading to improved outcomes and a brighter

关键词： glaucoma Psychiatry Depression Anxiety Risk factors Bidirectional relationship

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Unveiling the silent link:Normal-tension glaucoma's enigmatic bond with cardiac blood flow

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World Journal of Cardiology 2024年第1期16卷 10-15页

作者： prasanna Venkatesh Ramesh Arvind Kumar Morya Ajanya K Aradhya Pavithra Pannerselvam Sai Thaejesvi gopalakrishnan Shruthy Vaishali Ramesh Aji Kunnath Devadas Navaneeth Krishna Department of glaucoma and Research Mahathma Eye Hospital Private LimitedTrichy 620017Tamil NaduIndia Department of Ophthalmology All India Institute of Medical SciencesHyderabad 508126TelanganaIndia Department of Optometry and Visual Science Mahathma Eye Hospital Private LimitedTrichy 620017Tamil NaduIndia Mahathma Eye Hospital Private Limited Trichy 620017Tamil NaduIndia Department of Cataract and Refractive Surgery Mahathma Eye Hospital Private LimitedTrichy 620017Tamil NaduIndia

This comprehensive review embarks on a captivating journey into the complex relationship between cardiology and normal-tension glaucoma(NTg),a condition that continues to baffle clinicians and researchers ***,characterized by optic nerve damage and visual field loss despite normal intraocular pressure,has long puzzled *** emerging perspective suggests that alterations in ocular blood flow,particularly within the optic nerve head,may play a pivotal role in its *** NTg shares commonalities with its high-tension counterpart,its unique pathogenesis and potential ties to cardiovascular health make it a fascinating subject of *** navigates through the complex web of vascular dysregulation,blood pressure and perfusion pressure,neurovascular coupling,and oxidative stress,seeking to uncover the hidden threads that tie the heart and eyes together in *** review explores into the intricate mechanisms connecting cardiovascular factors to NTg,shedding light on how cardiac dynamics can influence ocular health,particularly in cases where intraocular pressure remains within the normal ***'s enigmatic nature,often characterized by seemingly contradictory risk factors and clinical profiles,underscores the need for a holistic approach to patient *** parallels to cardiac health,we examine into the shared vascular terrain connecting the heart and the *** factors,including systemic blood flow,endothelial dysfunction,and microcirculatory anomalies,may exert a profound influence on ocular perfusion,impacting the delicate balance within the optic nerve *** elucidating the subtle clues and potential associations between cardiology and NTg,this review invites clinicians to consider a broader perspective in their evaluation and management of this elusive *** the understanding of these connections evolves,so too may the prospects for early diagnosis and tailored interventions,ultimately enhancing the qual

关键词： Normal tension glaucoma Vascular dysregulation Ocular blood flow Blood pressure Perfusion pressure Oxidative stress

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Novel automated non-invasive detection of ocular surface squamous neoplasia using artificial intelligence

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World Journal of Methodology 2024年第2期14卷 51-64页

作者： Sony Sinha prasanna Venkatesh Ramesh Prateek Nishant Arvind Kumar Morya Ripunjay Prasad Department of Ophthalmology–Vitreo Retina Neuro Ophthalmology and OculoplastyAll India Institute of Medical SciencesPatna 801507India Department of glaucoma and Research Mahathma Eye Hospital Private LimitedTrichy 620017India Department of Ophthalmology ESIC Medical CollegePatna 801113India Department of Ophthalmology All India Institute of Medical SciencesHyderabad 508126India Department of Ophthalmology RP Eye InstituteDelhi 110001India

Ocular surface squamous neoplasia(OSSN)is a common eye surface tumour,characterized by the growth of abnormal cells on the ocular *** includes invasive squamous cell carcinoma(SCC),in which tumour cells penetrate the basement membrane and infiltrate the stroma,as well as non-invasive conjunctival intraepithelial neoplasia,dysplasia,and SCC in-situ thereby presenting a challenge in early detection and *** identification and precise demarcation of the OSSN border leads to straightforward and curative treatments,such as topical medicines,whereas advanced invasive lesions may need orbital exenteration,which carries a risk of *** intelligence(AI)has emerged as a promising tool in the field of eye care and holds potential for its application in OSSN *** algorithms trained on large datasets can analyze ocular surface images to identify suspicious lesions associated with OSSN,aiding ophthalmologists in early detection and *** can also track and monitor lesion progression over time,providing objective measurements to guide treatment ***,AI can assist in treatment planning by offering personalized recommendations based on patient data and predicting the treatment *** manuscript highlights the role of AI in OSSN,specifically focusing on its contributions in early detection and diagnosis,assessment of lesion progression,treatment planning,telemedicine and remote monitoring,and research and data analysis.

关键词： Conjunctival neoplasm Early detection of cancer Machine learning Deep neural network Precision medicine

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Challenges and opportunities in the production of magnesium parts by directed energy deposition processes

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Journal of Magnesium and Alloys 2024年第5期12卷 1663-1686页

作者： gürel Cam Ali günen Iskenderun Technical University Faculty of Engineering and Natural SciencesDepartment of Mechanical Engineering31200 Iskenderun-HatayTurkey Iskenderun Technical University Faculty of Engineering and Natural SciencesDepartment of Metallurgy and Materials Engineering31200 Iskenderun-HatayTurkey

Mg-alloys have gained considerable attention in recent years for their outstanding properties such as lightweight,high specific strength,and corrosion resistance,making them attractive for applications in medical,aerospace,automotive,and other transport ***,their widespread application is hindered by their low formability at room temperature due to limited slip *** Mg-alloys have low mechanical properties due to the presence of casting defects such as porosity and anisotropy in addition to the high *** casting methods benefit from established process optimization techniques for these problems,additive manufacturing methods are increasingly replacing casting methods in Mg alloys as they provide more precise control over the microstructure and allow specific grain orientations,potentially enabling easier optimization of anisotropy properties in certain *** metal additive manufacturing(MAM)technology also results in some manufacturing defects such as inhomogeneous microstructural evolution and porosity and additively manufactured Mg alloy parts exhibit lower properties than the wrought parts,they in general exhibit superior properties than the cast ***,MAM is a promising technique to produce Mg alloy *** energy deposition processes,particularly wire arc directed energy deposition(WA-DED),have emerged as an advantageous additive manufacturing(AM)technique for metallic materials including magnesium alloys,offering advantages such as high deposition rates,improved material efficiency,and reduced production costs compared to subtractive ***,the inherent challenges associated with magnesium,such as its high reactivity and susceptibility to oxidation,pose unique hurdles in the application of this *** review paper delves into the progress made in the application of DED technology to Mg-alloys,its challenges,and ***,the predominant imperfections,notably inhomo

关键词： Additive manufacturing DED processes Arc-DED Wire arc additive manufacturing(WAAM) 3-D printing High deposition rate

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Recent research in mechanical properties of geopolymer-based ultrahigh-performance concrete:A review

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Defence Technology（防务技术） 2024年第2期32卷 67-88页

作者： g.Murali Division of Research&Innovation Uttaranchal UniversityDehradun 248007India

Due to the growing need for sustainable and ultra-high-strength construction materials,scientists have created an innovative ultra-high-performance concrete called geopolymer based ultra-highperformance concrete(gUHPC).Besides,in the last few decades,there have been a lot of explosions and ballistic attacks around the world,which have killed many civilians and fighters in border *** this context,this article reviews the fresh state and mechanical properties of ***,the ingredients of gUHPC and fresh properties such as setting time and flowability are briefly ***,the review of compressive strength,flexure strength,tensile strength and modulus of elasticity of fibrous ***,the blast and projectile impact resistance performance was ***,the microstructural characteristics were reviewed using the scanning electron microscope and X-ray Powder *** review outcome reveals that the mechanical properties were increased when 30%silica fume was added to a higher dose of steel fibre to improve the microstructure of *** is hypothesized that the brittleness of gUHPC was mitigated by adding 1.5%steel fibre reinforcement,which played a role in the decrease of contact explosion cratering and *** the need for cement in gUHPC was a key factor in the review,indicating a promising potential for lowering carbon ***,gUHPC research is still in its early stages,so more study is required before its full potential can be utilized.

关键词： Mechanical properties Blast Projectile impact Fibre geopolymer Silica fume Alkaline activators

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