Complex Profile Research Articles

Composition Techniques Specific to the Arabic Musical Language in Kareem Roustom's Violin Concerto No. 1

The Violin Concerto by K. Roustom stands out as a distinctive fusion of compositional styles, positioning itself uniquely within contemporary violin compositions. Rather than eliminating precedents, the concerto embraces a convergence of structurally and ideatically diverse directions, resulting in a harmonious and unified end product. The creative process, starting from seemingly unrelated hypotheses and concluding in a cohesive manner, finds precedent in various musical examples across different eras. The concerto's complex profile, revealed through analysis, reflects a mixture of elements that resist facile extraction or definition. The diversity of languages interwoven into the works' architecture lends them significant value, offering interpretive richness from initial reception to deep analytical exploration. Simultaneously, the imperative of originality underscores the nature and implementation of the directions within the concerto. Complemented by the composers' mastery, educational backgrounds, and intellectual capacities, the concerto exemplifies authenticity and value, contributing to the evolving landscape of contemporary creative expressions.

Evidence for inflows and outflows in the nearby black hole transient Swift J1727.8−162

We present 20 epochs of optical spectroscopy obtained with the GTC-10.4m telescope across the bright discovery outburst of the black hole candidate Swift J1727.8−162. The spectra cover the main accretion states and are characterised by the presence of hydrogen and helium emission lines, commonly observed in these objects. They show complex profiles, including double peaks, but also blue-shifted absorptions (with blue-edge velocities of 1150 km s−1), broad emission wings, and flat-top profiles, which are the usual signatures of accretion disc winds. Moreover, red-shifted absorptions accompanied by blue emission excesses suggest the presence of inflows in at least two epochs, although a disc origin cannot be ruled out. Using pre-outburst imaging from Pan-STARRS, we identify a candidate quiescent optical counterpart with a magnitude of g ∼ 20.8. This implies an outburst optical amplitude of ΔV ∼ 7.7, supporting an estimated orbital period of ∼7.6 h, which favours an early K-type companion star. Employing various empirical methods, we derive a distance to the source of d = 2.7 ± 0.3 kpc, corresponding to a Galactic plane elevation of z = 0.48 ± 0.05 kpc. Based on these findings, we propose that Swift J1727.8−162 is a nearby black hole X-ray transient that exhibited complex signatures of optical inflows and outflows throughout its discovery outburst.

Beyond traditional therapies: clinical significance of complex molecular profiling in patients with advanced solid tumours-results from a Turkish multi-centre study.

The objective of this multi-centre, real-world study was to examine the potential influence of comprehensive molecular profiling on the development of treatment decisions or adjustments for patients with advanced solid malignancies. We then evaluated the impact of these informed choices on patient treatment outcomes. The study encompassed 234 adult patients (mean age: 52.7±14.3years, 54.7% women) who were diagnosed with solid tumours at 21 different medical centres in Turkey. Remarkably, 67.9% of the patients exhibited metastasis at the time of diagnosis. We utilized an OncoDNA (Gosselies, Belgium) platform (OncoDEEP) integrating next-generation sequencing with additional tests to harvest complex molecular profiling data. The results were analyzed in relation with two specific outcomes: (i) the impact on therapeutic decisions, including formulation or modifications, and (ii) associated treatment response. Out of the 228 patients with final molecular profiling results, 118 (50.4%) had their treatment modified, whilst the remaining 110 (47.0%) did not. The response rates were comparable, with 3.9 versus 3.4% for complete response, 13.6 versus 29.3% for partial response, 66.9 versus 51.7% for progressive disease and 15.5 versus 15.5% for stable disease for treatments informed and not informed by complex molecular profiling, respectively (P=0.16). Our real-world findings highlight the significant impact of complex molecular profiling on the treatment decisions made by oncologists for a substantial portion of patients with advanced solid tumours. Regrettably, no significant advantage was detected in terms of treatment response or disease control rates.

Transcriptional characterization of iPSC-derived microglia as a model for therapeutic development in neurodegeneration

Microglia are the resident immune cells in the brain that play a key role in driving neuroinflammation, a hallmark of neurodegenerative disorders. Inducible microglia-like cells have been developed as an in vitro platform for molecular and therapeutic hypothesis generation and testing. However, there has been no systematic assessment of similarity of these cells to primary human microglia along with their responsiveness to external cues expected of primary cells in the brain. In this study, we performed transcriptional characterization of commercially available human inducible pluripotent stem cell (iPSC)-derived microglia-like (iMGL) cells by bulk and single cell RNA sequencing to assess their similarity with primary human microglia. To evaluate their stimulation responsiveness, iMGL cells were treated with Liver X Receptor (LXR) pathway agonists and their transcriptional responses characterized by bulk and single cell RNA sequencing. Bulk transcriptome analyses demonstrate that iMGL cells have a similar overall expression profile to freshly isolated human primary microglia and express many key microglial transcription factors and functional and disease-associated genes. Notably, at the single-cell level, iMGL cells exhibit distinct transcriptional subpopulations, representing both homeostatic and activated states present in normal and diseased primary microglia. Treatment of iMGL cells with LXR pathway agonists induces robust transcriptional changes in lipid metabolism and cell cycle at the bulk level. At the single cell level, we observe heterogeneity in responses between cell subpopulations in homeostatic and activated states and deconvolute bulk expression changes into their corresponding single cell states. In summary, our results demonstrate that iMGL cells exhibit a complex transcriptional profile and responsiveness, reminiscent of in vivo microglia, and thus represent a promising model system for therapeutic development in neurodegeneration.

Patternable Process-Induced Strain in 2D Monolayers and Heterobilayers.

Strain engineering in two-dimensional (2D) materials is a powerful but difficult to control approach to tailor material properties. Across applications, there is a need for device-compatible techniques to design strain within 2D materials. This work explores how process-induced strain engineering, commonly used by the semiconductor industry to enhance transistor performance, can be used to pattern complex strain profiles in monolayer MoS2 and 2D heterostructures. A traction-separation model is identified to predict strain profiles and extract the interfacial traction coefficient of 1.3 ± 0.7 MPa/μm and the damage initiation threshold of 16 ± 5 nm. This work demonstrates the utility to (1) spatially pattern the optical band gap with a tuning rate of 91 ± 1 meV/% strain and (2) induce interlayer heterostrain in MoS2-WSe2 heterobilayers. These results provide a CMOS-compatible approach to design complex strain patterns in 2D materials with important applications in 2D heterogeneous integration into CMOS technologies, moiré engineering, and confining quantum systems.

Boric acid intercepts 80S ribosome migration from AUG-stop by stabilizing eRF1.

In response to environmental changes, cells flexibly and rapidly alter gene expression through translational controls. In plants, the translation of NIP5;1, a boric acid diffusion facilitator, is downregulated in response to an excess amount of boric acid in the environment through upstream open reading frames (uORFs) that consist of only AUG and stop codons. However, the molecular details of how this minimum uORF controls translation of the downstream main ORF in a boric acid-dependent manner have remained unclear. Here, by combining ribosome profiling, translation complex profile sequencing, structural analysis with cryo-electron microscopy and biochemical assays, we show that the 80S ribosome assembled at AUG-stop migrates into the subsequent RNA segment, followed by downstream translation initiation, and that boric acid impedes this process by the stable confinement of eukaryotic release factor 1 on the 80S ribosome on AUG-stop. Our results provide molecular insight into translation regulation by a minimum and environment-responsive uORF.

Spectroscopic diagnostic of the footpoints of the cool loops

ABSTRACT Statistically, the cool loop’s footpoints are diagnosed using Si iv resonance lines observations provided by Interface Region Imaging Spectrograph (IRIS). The intensity and full width at half-maximum (FWHM) of the loop’s footpoints in β–γ active regions (ARs) are higher than the corresponding parameters of footpoints in β ARs. However, the Doppler velocity of footpoints in both ARs are almost similar to each other. The intensities of footpoints from β–γ AR is found to be around nine times that of β AR when both ARs are observed nearly at the same time. The same intensity difference reduces nearly to half (four times) when considering all ARs observed over 9 yr. Hence, the instrument degradation affects comparative intensity analysis. We find that Doppler velocity and FWHM are well correlated while peak intensity is neither correlated with Doppler velocity nor FWHM. The loop’s footpoints in β–γ ARs have around four times more complex Si iv spectral profiles than that of β ARs. The intensity ratios (Si iv 1393.78 Å/1402.77 Å) of the significant locations of footpoints differ, marginally, (i.e. either less than 1.9 or greater than 2.10) from the theoretical ratio of 2, i.e. 52 per cent (55 per cent) locations in β (β–γ) ARs significantly deviate from 2. Hence, we say that more than half of the footpoint locations are either affected by the opacity or resonance scattering. We conclude that the nature and attributes of the footpoints of the cool loops in β–γ ARs are significantly different from those in β ARs.

Nondestructive evaluation of mechanical heart valve disc thickness degradation due to accelerated durability test using THz-TDS measurements

ABSTRACT Quality assurance and control during the mechanical heart valve components’ production process is paramount to mitigate most of the valve-related complications arising from valve replacement. Nondestructive evaluation of heart valve implants with complex profiles during production is challenging due to the biocompatibility requirements and clean room assembly conditions. This study first tested the UHMWPE disc of TTK Chitra mechanical heart valve models TC1 and TC2 using Terahertz imaging in reflection mode. The UHMWPE discs were raster scanned in X-Y directions to obtain a Terahertz-C scan to locate the macro defects due to wear out, and to distinguish between the true positive and true negative samples. The results were verified with digital microscope studies. Second, this study investigates a unique relationship between Terahertz imaging in reflection mode and heart valve disc degradation due to accelerated durability study. Third, the variation of disc surface roughness due to accelerated durability test was studied by Gaussian curve fitting analysis of fast Fourier transform of the Terahertz reflections. Finally, a comparison between the TC1 and TC2 heart valve model’s wear-out foot print was carried out using Terahertz C-scan. Our results imply that Terahertz time-domain spectroscopy has promising applications in NDE measurements of biocompatible implants.

Chemoproteomics Reveals USP5 (Ubiquitin Carboxyl-Terminal Hydrolase 5) as Promising Target of the Marine Polyketide Gracilioether A.

Mass spectrometry-based chemical proteomic approaches using limited proteolysis have become a powerful tool for the identification and analysis of the interactions between a small molecule (SM) and its protein target(s). Gracilioether A (GeA) is a polyketide isolated from a marine sponge, for which we aimed to trace the interactome using this strategy. DARTS (Drug Affinity Responsive Target Stability) and t-LiP-MS (targeted-Limited Proteolysis-Mass Spectrometry) represented the main techniques used in this study. DARTS was applied on HeLa cell lysate for the identification of the GeA target proteins, and t-LiP-MS was employed to investigate the protein's regions involved in the binding with GeA. The results were complemented through the use of binding studies using Surface Plasmon Resonance (SPR) and in silico molecular docking experiments. Ubiquitin carboxyl-terminal hydrolase 5 (USP5) was identified as a promising target of GeA, and the interaction profile of the USP5-GeA complex was explained. USP5 is an enzyme involved in the pathway of protein metabolism through the disassembly of the polyubiquitin chains on degraded proteins into ubiquitin monomers. This activity is connected to different cellular functions concerning the maintenance of chromatin structure and receptors and the degradation of abnormal proteins and cancerogenic progression. On this basis, this structural information opens the way to following studies focused on the definition of the biological potential of Gracilioether A and the rational development of novel USP5 inhibitors based on a new structural skeleton.

Association Between Remnant Cholesterol and Contrast-Induced Nephropathy in Patients Undergoing Coronary Angiography and/or Percutaneous Coronary Intervention.

Contrast-induced nephropathy (CIN) is an acute renal complication that can occur after the use of iodinated contrast media. Remnant cholesterol (RC) is one of the markers of atherosclerotic cardiovascular disease risk. We evaluated the impact of RC on CIN and clinical outcomes after coronary angiography (CAG) and/or percutaneous coronary intervention (PCI). Consecutive patients (n = 3332) undergoing CAG and/or PCI were assessed in this retrospective study. Patients were divided into four groups based on baseline RC levels. In the quartile analysis, RC were associated with a higher risk of CIN, especially when RC ≤0.20 or ≥0.38mmol/L (P < .05). However, after adjustment, the association of RC with CIN was not significant. There was a significant correlation between RC and repeated revascularization in patients undergoing PCI (P < .001) and driven primarily by the highest quartile level. After adjustment, this remained statistically significant (adjusted odds ratio (aOR) 4.06; 95% CI 2.10-7.87; P < .001). This is the first large study to show a possible association between RC and the risk of CIN after CAG and/or PCI; however, this finding was not further confirmed after adjustment. The complex clinical risk profile of patients, rather than RC itself, may contribute to the risk of CIN in this high-risk subgroup.

ConsICA: an R package for robust reference-free deconvolution of multi-omics data.

Deciphering molecular signals from omics data helps understanding cellular processes and disease progression. Effective algorithms for extracting these signals are essential, with a strong emphasis on robustness and reproducibility. R/Bioconductor package consICA implements consensus independent component analysis (ICA)-a data-driven deconvolution method to decompose heterogeneous omics data and extract features suitable for patient stratification and multimodal data integration. The method separates biologically relevant molecular signals from technical effects and provides information about the cellular composition and biological processes. Build-in annotation, survival analysis, and report generation provide useful tools for the interpretation of extracted signals. The implementation of parallel computing in the package ensures efficient analysis using modern multicore systems. The package offers a reproducible and efficient data-driven solution for the analysis of complex molecular profiles, with significant implications for cancer research. The package is implemented in R and available under MIT license at Bioconductor (https://bioconductor.org/packages/consICA) or at GitHub (https://github.com/biomod-lih/consICA).

Development of approaches for forming complex profile parts from Al–Cu alloys using the metal fused filament fabrication technology

Development of approaches for forming complex profile parts from Al–Cu alloys using the metal fused filament fabrication technology

Unraveling the Nanoscale Segregation Mechanism in N-Doped Niobium for Enhanced SRF Performance.

The nitrogen doping (N-doping) treatment for niobium superconducting radio-frequency (SRF) cavities is one of the key enabling technologies that support the development of more efficient future large accelerators. However, the N-doping results have diverged due to a complex chemical profile under the nitrogen-doped surface. Particularly, under industrial-scale production conditions, it is difficult to understand the underlying mechanism thus hindering performance improvement. Herein, a combination of spatially resolved and surface-sensitive approaches is employed to establish the detailed near-surface phase composition of thermally processed niobium. The results show that intermediate phase segregations, particularly the nanometric carbon-rich phase, can impede the nitridation process and limit the interactions between nitrogen and the niobium sub-surface. In comparison, the removal of the carbon-rich layer at the Nb surface leads to enhanced nitrogen binding at the Nb surface. Combining the RF test results, it is shown that the complex uniformity and grain boundary penetrations of impurity elements have a direct correlation with the mid-field quench behavior in the N-doped Nb cavities. Therefore, proper control of the nanometric intermediate phase formation in discrete thermal steps is critical in improving the ultimate performance and production yield of the Nb cavities.

Performance of plant-produced RBDs as SARS-CoV-2 diagnostic reagents: a tale of two plant platforms.

The COVID-19 pandemic has underscored the need for rapid and cost-effective diagnostic tools. Serological tests, particularly those measuring antibodies targeting the receptor-binding domain (RBD) of the virus, play a pivotal role in tracking infection dynamics and vaccine effectiveness. In this study, we aimed to develop a simple enzyme-linked immunosorbent assay (ELISA) for measuring RBD-specific antibodies, comparing two plant-based platforms for diagnostic reagent production. We chose to retain RBD in the endoplasmic reticulum (ER) to prevent potential immunoreactivity issues associated with plant-specific glycans. We produced ER-retained RBD in two plant systems: a stable transformation of BY-2 plant cell culture (BY2-RBD) and a transient transformation in Nicotiana benthamiana using the MagnICON system (NB-RBD). Both systems demonstrated their suitability, with varying yields and production timelines. The plant-made proteins revealed unexpected differences in N-glycan profiles, with BY2-RBD displaying oligo-mannosidic N-glycans and NB-RBD exhibiting a more complex glycan profile. This difference may be attributed to higher recombinant protein synthesis in the N. benthamiana system, potentially overloading the ER retention signal, causing some proteins to traffic to the Golgi apparatus. When used as diagnostic reagents in ELISA, BY2-RBD outperformed NB-RBD in terms of sensitivity, specificity, and correlation with a commercial kit. This discrepancy may be due to the distinct glycan profiles, as complex glycans on NB-RBD may impact immunoreactivity. In conclusion, our study highlights the potential of plant-based systems for rapid diagnostic reagent production during emergencies. However, transient expression systems, while offering shorter timelines, introduce higher heterogeneity in recombinant protein forms, necessitating careful consideration in serological test development.

Material removal in laser chemical processing with modulated laser power

Laser chemical machining (LCM) is a method of laser processing based on gentle material removal by means of thermal induced chemical dissolution. Since LCM depends predominantly on the surface temperature of the workpiece, the process window is restricted by the appearance of gas bubbles at higher laser powers and their associated shielding effect. In order to extend the process understanding, the influence of the laser power modulation on the removal behavior is investigated in the present work. The experiments were conducted on titanium grade 1 and with phosphoric acid. Based on the response time in experiments with a single step function of the laser power, a spatial frequency threshold was determined above which a constant removal depth could be expected. Afterward, the laser power was modulated rectangularly in time, resulting in combination with the process velocity in different spatial modulation frequencies varying from 1 to 20 mm−1. The investigations showed that the removal cavity exhibited sinusoidal oscillation in depth along the machining direction with a spatial frequency corresponding to the spatial frequency of the laser power. When the spatial frequency exceeds the determined threshold frequency, the cavity depth is constant. This established the basis for generating complex removal profiles by varying the power in the range below the threshold frequency.

Delineated 3-1-BenCarMethInYlPro-Phosphonic Acid's Adroit Activity against Lung Cancer through Multitargeted Docking, MM\GBSA, QM-DFT and Multiscale Simulations.

Lung cancer is a pervasive and challenging disease with limited treatment options, with global health challenges often present with complex molecular profiles necessitating the exploration of innovative therapeutic strategies. Single-target drugs have shown limited success due to the heterogeneity of this disease. Multitargeted drug designing is imperative to combat this complexity by simultaneously targeting multiple target proteins and pathways, which can enhance treatment efficacy and overcome resistance by addressing the dynamic nature of the disease and stopping tumour growth and spread. In this study, we performed the molecular docking studies of Drug Bank compounds with a multitargeted approach against crucial proteins of lung cancer such as heat shock protein 5 (BIP/GRP78) ATPase, myosin 9B RhoGAP, EYA2 phosphatase inhibitor, RSK4 N-terminal kinase, and collapsin response mediator protein-1 (CRMP-1) using HTVS, SP with XP algorithms, and poses were filtered using MM\GBSA which identified [3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-]-Phosphonic Acid (3-1-BenCarMethIn YlPro-Phosphonic Acid) (DB02504) as multitargeted drug candidate with docking and MM\GBSA score ranges from -5.83 to -10.66 and -7.56 to -50.14 Kcal/mol, respectively. Further, the pharmacokinetic and QM-based DFT studies have shown complete acceptance results, and interaction fingerprinting reveals that ILE, GLY, VAL, TYR, LEU, and GLN were among the most interacting residues. The 100 ns MD simulation in the SPC water model with NPT ensemble showed stable performance with deviation and fluctuations <2 Å with huge interactions, making it a promising multitargeted drug candidate; however, experimental studies are needed before use.

Manufacturing cost reduction techniques for automobile crankcase mould inserts

The manufacturing of automobile moulds is itself a challenging job and very tedious task requiring high accuracy of component profiles. The required complicated and complex profiles are generated when the mould inserts are relinquished from several numbers of workstations, which run for a longer process time. As the accuracy needed for the component area is very high and it (insert) has to pass through several bottleneck workstations, the production time and increased buffer time are observed. This chapter focuses on providing economical methods for manufacturing hot die steel inserts. These techniques are implemented on a pressure die-casting insert component. The present solution is derived for manufacturing time reduction and minimisation of the die-casting inserts (moving and fixed die) at every stage. Implementing combined electrodes, assembly machining and cluster plate machining/sparking techniques are critical development advancements in the research. In the combined electrode concept, one electrode is designed in the same area to cover multiple areas that were initially covered by separate individual electrodes. Furthermore, this concept is outstretched by the cluster plate concept. Those electrodes that cannot be covered by a single electrode are machined together to act as a single electrode and later separated while individual sparking. Combined electrode design, assembly machining and cluster machining/sparking of the electrodes reduce the total machining time of the die and the machining centre. Reducing the machine run time will reduce the production cost and increase profit. The results achieved show that the combined electrode design setup shows 75% savings in the combined sparking setup, whereas the cluster plate machining setup shows 35% savings in the tool list generation (from software used) of the net savings. The proposed solution opens up new avenues for similar automobile components by setting benchmarks to decrease the rope length associated with manufacturing and increase profit.

Dual FGFR-targeting and pH-activatable ruthenium-peptide conjugates for targeted therapy of breast cancer.

Dysregulation of Fibroblast Growth Factor Receptors (FGFRs) signaling has been associated with breast cancer, yet employing FGFR-targeted delivery systems to improve the efficacy of cytotoxic agents is still sparsely exploited. Herein, we report four new bi-functional ruthenium-peptide conjugates (RuPCs) with FGFR-targeting and pH-dependent releasing abilities, envisioning the selective delivery of cytotoxic Ru complexes to FGFR(+)-breast cancer cells, and controlled activation at the acidic tumoral microenvironment. The antiproliferative potential of the RuPCs and free Ru complexes was evaluated in four breast cancer cell lines with different FGFR expression levels (SKBR-3, MDA-MB-134-VI, MCF-7, and MDA-MB-231) and in human dermal fibroblasts (HDF), at pH 6.8 and pH 7.4 aimed at mimicking the tumor microenvironment and normal tissues/bloodstream pHs, respectively. The RuPCs showed higher cytotoxicity in cells with higher level of FGFR expression at acidic pH. Additionally, RuPCs showed up to 6-fold higher activity in the FGFR(+) breast cancer lines compared to the normal cell line. The release profile of Ru complexes from RuPCs corroborates the antiproliferative effects observed. Remarkably, the cytotoxicity and releasing ability of RuPCs were shown to be strongly dependent on the conjugation of the peptide position in the Ru complex. Complementary molecular dynamic simulations and computational calculations were performed to help interpret these findings at the molecular level. In summary, we identified a lead bi-functional RuPC that holds strong potential as a FGFR-targeted chemotherapeutic agent.

PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.

To clinically advance the growing arsenal of radiometals available to image and treat cancer, chelators with versatile binding properties are needed. Herein, we evaluated the ability of the py2[18]dieneN6 macrocycle PYTA to interchangeably bind and stabilize 225Ac3+, [177Lu]Lu3+, [111In]In3+ and [44Sc]Sc3+, a chemically diverse set of radionuclides that can be used complementarily for targeted alpha therapy, beta therapy, single-photon emission computed tomography (SPECT) imaging, and positron emission tomography (PET) imaging, respectively. Through NMR spectroscopy and X-ray diffraction, we show that PYTA possesses an unusual degree of flexibility for a macrocyclic chelator, undergoing dramatic conformational changes that enable it to optimally satisfy the disparate coordination properties of each metal ion. Subsequent radiolabeling studies revealed that PYTA quantitatively binds all 4 radiometals at room temperature in just minutes at pH 6. Furthermore, these complexes were found to be stable in human serum over 2 half-lives. These results surpass those obtained for 2 state-of-the-art chelators for nuclear medicine, DOTA and macropa. The stability of 225Ac-PYTA and [44Sc]Sc-PYTA, the complexes having the most disparity with respect to metal-ion size, was further probed in mice. The resulting PET images (44Sc) and ex vivo biodistribution profiles (44Sc and 225Ac) of the PYTA complexes differed dramatically from those of unchelated [44Sc]Sc3+ and 225Ac3+. These differences provide evidence that PYTA retains this size-divergent pair of radionuclides in vivo. Collectively, these studies establish PYTA as a new workhorse chelator for nuclear medicine and warrant its further investigation in targeted constructs.

Computational screening and molecular docking of compounds from Traditional Chinese Medicine (TCM) by targeting DNA topoisomerase I to design potential anticancer drugs.

Each year thousands of people suffer across the globe due to higher cancer incidence and mortality rates. Additionally, the treatment option for cancer patients is also costly, and often cancer drugs suffer from lower efficacy with more side effects. The DNA topoisomerase can function as an established cancer target because Human Topoisomerase (Top1) regulates genetic transcription during the post-mitotic phase and plays a critical role in DNA supercoiling during replication and repair. Therefore, during drug therapy, blocking the Top1 may be crucial for inhibiting the proliferation of cancer cells. Here, the TCM (traditional Chinese medicine) compounds have been screened through the virtual screening. The Chinese medicine library's virtual screening process made it possible to narrow down the compound list to 29 compounds based on binding energy (-7.1 to -9.3Kcal/mol), while following Lipniski filtering, MM/PB (GB) SA filtering was used to screen the remaining 22 compounds and the top four compounds were chosen based on binding free energy. Here, the four compounds; CID-65752 (T2972: Rutaecarpine), CID-5271805 (T4S2126: Ginkgetin), CID-9817839 (T2S2335: Dehydroevodiamine) and CID-51106 (T3054: Daurisoline) had comparatively higher binding energy of -8.2, -8.5, -8.3 and -8.2 respectively during molecular docking than other compounds. Among these four compounds, no toxic profile of the two screened compounds; CID-5271805 and CID-9817839 was found in ADMET filtering. Moreover, the SASA (solvent accessible surface area), Rg (radius of gyrations), RMSD (root mean square deviation), and RMSF (root mean square fluctuation) profile of the drug-protein complex reveals the stability and rigidity of the compounds in molecular dynamics simulation study. However, these studies need to be validated in experimental approaches to develop more potent and effective cancer drugs.