• 제목/요약/키워드: Docking system

검색결과 141건 처리시간 0.021초

Integration of virtual screening and proteomics reveals potential targets and pathways for ginsenoside Rg1 against myocardial ischemia

  • Rongfang Xie;Chenlu Li;Chenhui Zhong;Zuan Lin;Shaoguang Li;Bing Chen;Youjia Wu;Fen Hu;Peiying Shi;Hong Yao
    • Journal of Ginseng Research
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    • 제48권4호
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    • pp.395-404
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    • 2024
  • Background: Ginsenoside Rg1 (Rg1) is one of the main active components in Chinese medicines, Panax ginseng and Panax notoginseng. Research has shown that Rg1 has a protective effect on the cardiovascular system, including anti-myocardial ischemia-reperfusion injury, anti-apoptosis, and promotion of myocardial angiogenesis, suggesting it a potential cardiovascular agent. However, the protective mechanism involved is still not fully understood. Methods: Based on network pharmacology, ligand-based protein docking, proteomics, Western blot, protein recombination and spectroscopic analysis (UV-Vis and fluorescence spectra) techniques, potential targets and pathways for Rg1 against myocardial ischemia (MI) were screened and explored. Results: An important target set containing 19 proteins was constructed. Two target proteins with more favorable binding activity for Rg1 against MI were further identified by molecular docking, including mitogen-activated protein kinase 1 (MAPK1) and adenosine kinase (ADK). Meanwhile, Rg1 intervention on H9c2 cells injured by H2O2 showed an inhibitory oxidative phosphorylation (OXPHOS) pathway. The inhibition of Rg1 on MAPK1 and OXPHOS pathway was confirmed by Western blot assay. By protein recombination and spectroscopic analysis, the binding reaction between ADK and Rg1 was also evaluated. Conclusion: Rg1 can effectively alleviate cardiomyocytes oxidative stress injury via targeting MAPK1 and ADK, and inhibiting oxidative phosphorylation (OXPHOS) pathway. The present study provides scientific basis for the clinical application of the natural active ingredient, Rg1, and also gives rise to a methodological reference to the searching of action targets and pathways of other natural active ingredients.

Discovery and validation of PURA as a transcription target of 20(S)-protopanaxadiol: Implications for the treatment of cognitive dysfunction

  • Feiyan Chen;Wenjing Zhang;Shuyi Xu;Hantao Zhang;Lin Chen;Cuihua Chen;Zhu Zhu;Yunan Zhao
    • Journal of Ginseng Research
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    • 제47권5호
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    • pp.662-671
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    • 2023
  • Background: 20(S)-protopanaxadiol (PPD), a ginsenoside metabolite, has prominent benefits for the central nervous system, especially in improving learning and memory. However, its transcriptional targets in brain tissue remain unknown. Methods: In this study, we first used mass spectrometry-based drug affinity responsive target stability (DARTS) to identify the potential proteins of ginsenosides and intersected them with the transcription factor library. Second, the transcription factor PURA was confirmed as a target of PPD by biolayer interferometry (BLI) and molecular docking. Next, the effect of PPD on the transcriptional levels of target genes of PURA in brain tissues was determined by qRT-PCR. Finally, bioinformatics analysis was used to analyze the potential biological features of these target proteins. Results: The results showed three overlapping transcription factors between the proteomics of DARTS and transcription factor library. BLI analysis further showed that PPD had a higher direct interaction with PURA than parent ginsenosides. Subsequently, BLI kinetic analysis, molecular docking, and mutations in key amino acids of PURA indicated that PPD specifically bound to PURA. The results of qRT-PCR showed that PPD could increase the transcription levels of PURA target genes in brain. Finally, bioinformatics analysis showed that these target proteins were involved in learning and memory function. Conclusion: The above-mentioned findings indicate that PURA is a transcription target of PPD in brain, and PPD upregulate the transcription levels of target genes related to cognitive dysfunction by binding PURA, which could provide a chemical and biological basis for the study of treating cognitive impairment by targeting PURA.

Similar Operative Outcomes between the da Vinci Xi® and da Vinci Si® Systems in Robotic Gastrectomy for Gastric Cancer

  • Alhossaini, Rana M.;Altamran, Abdulaziz A.;Choi, Seohee;Roh, Chul-Kyu;Seo, Won Jun;Cho, Minah;Son, Taeil;Kim, Hyung-Il;Hyung, Woo Jin
    • Journal of Gastric Cancer
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    • 제19권2호
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    • pp.165-172
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    • 2019
  • Purpose: The robotic system for surgery was introduced to gastric cancer surgery in the early 2000s to overcome the shortcomings of laparoscopic surgery. The more recently introduced da Vinci $Xi^{(R)}$ system offers benefits allowing four-quadrant access, greater range of motion, and easier docking through an overhead boom rotation with laser targeting. We aimed to identify whether the $Xi^{(R)}$ system provides actual advantages over the $Si^{(R)}$ system in gastrectomy for gastric cancer by comparing the operative outcomes. Materials and Methods: We retrospectively reviewed all patients who underwent robotic gastrectomy as treatment for gastric cancer from March 2016 to March 2017. Patients' demographic data, perioperative information, and operative and pathological outcomes were collected and analyzed. Results: A total of 109 patients were included in the $Xi^{(R)}$ group and 179 in the $Si^{(R)}$ group. Demographic characteristics were similar in both groups. The mean operative time was 229.9 minutes in the $Xi^{(R)}$ group and 223.7 minutes in the $Si^{(R)}$ group. The mean estimated blood loss was 72.7 mL in the $Xi^{(R)}$ group and 62.1 mL in the $Si^{(R)}$ group. No patient in the $Xi^{(R)}$ group was converted to open or laparoscopy, while 3 patients in the $Si^{(R)}$ group were converted, 2 to open surgery and 1 to laparoscopy, this difference was not statistically significant. Bowel function was resumed 3 days after surgery, while soft diet was initiated 4 days after surgery. Conclusions: We found no difference in surgical outcomes after robotic gastrectomy for gastric cancer between the da Vinci $Xi^{(R)}$ and da Vinci $Si^{(R)}$ procedures.

유인플랫폼에서의 수중로봇 운용을 위한 진수 및 회수 체계 고찰 (Consideration of Launch and Recovery Systems for Operation of Underwater Robot from Manned Platform)

  • 이기영
    • 한국해양공학회지
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    • 제30권2호
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    • pp.141-149
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    • 2016
  • In this technical note, the issues and challenges for the launch and recovery systems (LARS) and related techniques for the operation of an underwater robot from a manned platform are considered. Various types of LARS fitted to specific manned platforms, surface or sub-surface, are surveyed and categorized. The current UUV launch and recovery systems from surface ships and submarines utilize time consuming processes. As underwater robot technologies evolve and their roles are defined, safe and effective launch and recovery methods should be developed capable of reliable and efficient operations, particularly at a high sea state. To improve the existing underwater robot capabilities, LARS technology maturation is required in the near term, leading to the ability to incorporate autonomous LARS for an underwater robot on a manned platform. In the near term, particular emphasis should be placed on UUV LARS, which are surface ship based, with submarine based systems in the long term. Furthermore, for a dedicated LARS ship, independent of the existing host ship type, particular emphasis should be given to fully utilizing the capabilities of underwater robots.

RMAC를 적용한 어뢰형 무인잠수정(ISiMi)의 수평면 경로추종 제어 (Path Tracking Control Based on RMAC in Horizontal Plane for a Torpedo-Shape AUV, ISiMi)

  • 김영식;이지홍;김진하;전봉환;이판묵
    • 한국해양공학회지
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    • 제23권6호
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    • pp.146-155
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    • 2009
  • This paper considers the path tracking problem in a horizontal plane for underactuated (or non-holonomic) autonomous underwater vehicles (AUVs). Underwater mapping has been an important mission for AUVs. Recently, underwater docking has also become a main research field of AUVs. These kinds of missions basically require accurate attitude and trajectory control performance. However, the non-holonomic problem should be solved to achieve accurate path tracking for the torpedo-type of AUVs. In this paper, resolved motion and acceleration control (RMAC) is considered as a path tracking controller for an underactuated torpedo-shaped AUV, ISiMi. A set of numerical simulations is carried out to illustrate the effectiveness of the proposed RMAC scheme, and experimental data with ISiMi100 and discussions are presented.

Biotransformation of Flavone by CYP105P2 from Streptomyces peucetius

  • Niraula, Narayan Prasad;Bhattarai, Saurabh;Lee, Na-Rae;Sohng, Jae Kyung;Oh, Tae-Jin
    • Journal of Microbiology and Biotechnology
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    • 제22권8호
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    • pp.1059-1065
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    • 2012
  • Biocatalytic transfer of oxygen in isolated cytochrome P450 or whole microbial cells is an elegant and efficient way to achieve selective hydroxylation. Cytochrome P450 CYP105P2 was isolated from Streptomyces peucetius that showed a high degree of amino acid identity with hydroxylases. Previously performed homology modeling, and subsequent docking of the model with flavone, displayed a reasonable docked structure. Therefore, in this study, in a pursuit to hydroxylate the flavone ring, CYP105P2 was co-expressed in a two-vector system with putidaredoxin reductase (camA) and putidaredoxin (camB) from Pseudomonas putida for efficient electron transport. HPLC analysis of the isolated product, together with LC-MS analysis, showed a monohydroxylated flavone, which was further established by subsequent ESI/MS-MS. A successful 10.35% yield was achieved with the whole-cell bioconversion reaction in Escherichia coli. We verified that CYP105P2 is a potential bacterial hydroxylase.

생물학적 자극 통제 수단으로 활용하기 위한 돼지 페르몬 성 냄새 물질의 탐색: $N^1$-allyl-$N^2$-(tetrahydrofuran-2-ylmethyl)oxalamide 분자의 합성과 돼지의 발정 유도효과 (The Search of Pig Pheromonal Odorants for Biostimulation Control System Technologies: Synthesis of $N^1$-allyl-$N^2$-(tetrahydrofuran-2-ylmethyl)oxalamide Molecule and Induction Effect of Pig Estrus)

  • 박창식;송석오;임재삼;성민규;성낙도
    • Reproductive and Developmental Biology
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    • 제33권1호
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    • pp.1-5
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    • 2009
  • To search a new pig pheromonal odorant, the $N^1$-allyl-$N^2$-(tetrahydrofuran-Z-ylmethyl)oxalamide molecule predicted by ligand based approach and molecular docking method was synthesized by nucleophilic addition-elimination reaction ($Ad_{NU-E}$) between N-allyloxalamic acid ethylester and tetrahydrofurlmethylamine. According to the evaluation results for efficiency of pig estrus control, the synthesized pig pheromonal $N^1$-allyl-$N^2$-(tetrahydrofuran-2-ylmethyl)oxalamide molecule advanced the estrus by 11.3 days (p<0.05) compared with the non-pheromone group. And from these results, it is predicted that the synthesized pig pheromonal compound will be able to increase the reproduction efficiency of pig.

The Molecular Modeling of Novel Inhibitors of Protein Tyrosine Phosphatase 1B Based on Catechol by MD and MM-GB (PB)/SA Calculations

  • Kocakaya, Safak Ozhan
    • Bulletin of the Korean Chemical Society
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    • 제35권6호
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    • pp.1769-1776
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    • 2014
  • Binding modes of a series of catechol derivatives such as protein tyrosine phosphatase 1B (PTP1B) inhibitors were identified by molecular modeling techniques. Docking, molecular dynamics simulations and free energy calculations were employed to determine the modes of these new inhibitors. Binding free energies were calculated by involving different energy components using the Molecular Mechanics-Poisson-Boltzmann Surface Area and Generalized Born Surface Area methods. Relatively larger binding energies were obtained for the catechol derivatives compared to one of the PTP1B inhibitors already in use. The Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) free energy decomposition analysis indicated that the hydroxyl functional groups and biphenyl ring system had favorable interactions with Met258, Tyr46, Gln262 and Phe182 residues of PTP1B. The results of hydrogen bound analysis indicated that catechol derivatives, in addition to hydrogen bonding interactions, Val49, Ile219, Gln266, Asp181 and amino acid residues of PTP1B are responsible for governing the inhibitor potency of the compounds. The information generated from the present study should be useful for the design of more potent PTP1B inhibitors as anti-diabetic agents.

마커인식 및 레이저 센서를 이용한 드론의 도킹 시스템 설계 (The Design of Docking Drone System using Marker Detection)

  • 백종환;박희수;오세령;신지훈;김상훈
    • 한국정보처리학회:학술대회논문집
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    • 한국정보처리학회 2016년도 추계학술발표대회
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    • pp.755-758
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    • 2016
  • 본 논문에서는 마커 인식과 레이저 센서를 이용하여 드론과 모듈 로봇 간의 상호작용이 가능하며 도킹 가능한 드론을 설명한다. 모듈 로봇은 4족 로봇으로 4개의 다리를 이용하여 보행이 가능하며 스스로 장애물 회피 등의 지능적 행동이 가능하다. 연구에서는 1대의 카메라를 이용하여 마커 인식을 하고 레이저 센서 송수신을 통하여 모듈 로봇과의 상호작용이 가능함을 보인다. 실험은 마커 인식과 레이저 센서를 융합하였을 때의 도킹 성공률이 뛰어났다는 결과를 보이며 드론의 페이로드가 다른 상황에서도 안정적인 결과를 보여 영상이나 방범, 농업 분야에서 특수한 기술을 갖는 로봇을 드론과의 도킹을 통해 다른 모듈화 된 로봇들과 교체하여 실효성을 극대화 시킬 수 있을 것이다.

이동로봇의 자동충전을 위한 어안렌즈 카메라의 보정 및 인공표지의 검출 (Fish-eye camera calibration and artificial landmarks detection for the self-charging of a mobile robot)

  • 권오상
    • 센서학회지
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    • 제14권4호
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    • pp.278-285
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    • 2005
  • This paper describes techniques of camera calibration and artificial landmarks detection for the automatic charging of a mobile robot, equipped with a fish-eye camera in the direction of its operation for movement or surveillance purposes. For its identification from the surrounding environments, three landmarks employed with infrared LEDs, were installed at the charging station. When the robot reaches a certain point, a signal is sent to the LEDs for activation, which allows the robot to easily detect the landmarks using its vision camera. To eliminate the effects of the outside light interference during the process, a difference image was generated by comparing the two images taken when the LEDs are on and off respectively. A fish-eye lens was used for the vision camera of the robot but the wide-angle lens resulted in a significant image distortion. The radial lens distortion was corrected after linear perspective projection transformation based on the pin-hole model. In the experiment, the designed system showed sensing accuracy of ${\pm}10$ mm in position and ${\pm}1^{\circ}$ in orientation at the distance of 550 mm.