• Title/Summary/Keyword: Docking Method

Search Result 99, Processing Time 0.032 seconds

Enhanced Drug Carriage Efficiency of Curcumin-Loaded PLGA Nanoparticles in Combating Diabetic Nephropathy via Mitigation of Renal Apoptosis

  • Asmita Samadder;Banani Bhattacharjee;Sudatta Dey;Arnob Chakrovorty;Rishita Dey;Priyanka Sow;Debojyoti Tarafdar;Maharaj Biswas;Sisir Nandi
    • Journal of Pharmacopuncture
    • /
    • v.27 no.1
    • /
    • pp.1-13
    • /
    • 2024
  • Background: Diabetic nephropathy (DN) is one of the major complications of chronic hyperglycaemia affecting normal kidney functioning. The ayurvedic medicine curcumin (CUR) is pharmaceutically accepted for its vast biological effects. Objectives: The Curcuma-derived diferuloylmethane compound CUR, loaded on Poly (lactide-co-glycolic) acid (PLGA) nanoparticles was utilized to combat DN-induced renal apoptosis by selectively targeting and modulating Bcl2. Methods: Upon in silico molecular docking and screening study CUR was selected as the core phytocompound for nanoparticle formulation. PLGA-nano-encapsulated-curcumin (NCUR) were synthesized following standard solvent displacement method. The NCUR were characterized for shape, size and other physico-chemical properties by Atomic Force Microscopy (AFM), Dynamic Light Scattering (DLS) and Fourier-Transform Infrared (FTIR) Spectroscopy studies. For in vivo validation of nephro-protective effects, Mus musculus were pre-treated with CUR at a dose of 50 mg/kg b.w. and NCUR at a dose of 25 mg/kg b.w. (dose 1), 12.5 mg/kg b.w (dose 2) followed by alloxan administration (100 mg/kg b.w) and serum glucose levels, histopathology and immunofluorescence study were conducted. Results: The in silico study revealed a strong affinity of CUR towards Bcl2 (dock score -10.94 Kcal/mol). The synthesized NCUR were of even shape, devoid of cracks and holes with mean size of ~80 nm having -7.53 mV zeta potential. Dose 1 efficiently improved serum glucose levels, tissue-specific expression of Bcl2 and reduced glomerular space and glomerular sclerosis in comparison to hyperglycaemic group. Conclusion: This study essentially validates the potential of NCUR to inhibit DN by reducing blood glucose level and mitigating glomerular apoptosis by selectively promoting Bcl2 protein expression in kidney tissue.

A Study on the Development of Auto Pilot Device at Shallow Water for the Docking of Fishing Boat (천수섬에서 어선 정박을 위한 자동도선시스템에 관한 연구)

  • Lee, Kwi-Joo;Benilov, Alexander Y;Sin, Young-Kuwn;Park, Myung-Kyu;Kim, Kyoung-Hwa;Park, Weon-Me
    • Journal of the Korean Society of Fisheries and Ocean Technology
    • /
    • v.40 no.2
    • /
    • pp.144-148
    • /
    • 2004
  • Generally a ship in a port or canal is guided by tugboat(s), while the ship engine(s) and steering mechanism idle. The shortcomings of this method are insufficient in course keeping ability, danger of collision with waterside structures, time-consuming preparation for tugging, as well as the need to maintain tugboats. A new technology for ship guiding, based on the physical principle of interaction of a solid body with aerated liquids has been developed [1]. Model tests were carried out for the verification of system at slow speed by engine operating conditions and with an idle steering. The developed device has been proved to keep the ship on course safely.

Limb-Salvage Surgery using Ilizarov Technique - Report of 2 cases - (Ilizarov술식을 이용한 사지 구제술 - 2례 보고 -)

  • Cho, Duck-Yun;Koh, Eun-Sung;Lee, Ji-Sup
    • The Journal of the Korean bone and joint tumor society
    • /
    • v.1 no.2
    • /
    • pp.226-232
    • /
    • 1995
  • Survival rate of osteosarcoma has been improved recently due to the neoadjuvant and adjuvant chemotherapy. Limb-salvaging operation(LSO) has replaced the amputation technique without' lowering the survival rate. And there occurred a lot of patients who are suffering from the high cost of artificial implants and forced to choose amputation due to economic problem. In LSO, usually relatively high cost artifical implant is needed. When a patient and not afford such an expensive implant he had to choose an inexpensive way, amputation. Authors tried bone lengthening by adopting Ilizarov technique after wide resection of tumor in two patients. Bone transportation was successful in one patient and less successful in the other. One case in CDF(continuosly disease free since the surgical procedure) state at follow-up 3 year 4 months after knee joint fusion. And the other was given lobectomy for lung metastasis at postop. 1 year and 9 months, and given osteosynthesis for infected nonunion at the docking site. Bone transportation was thought to be a good method for the bony coverage of dead space caused by wide resection. Bone transportation technique was economical as well as biological We present two osteosarcoma patient who treated with Ilizarov bone transportation.

  • PDF

Molecular Modeling, Synthesis, and Screening of New Bacterial Quorum-sensing Antagonists

  • Kim, Cheol-Jin;Kim, Jae-Eun;Park, Hyung-Yeon;Mclean, Robert J.C.;Kim, Chan-Kyung;Jeon, Jong-Ho;Yi, Song-Se;Kim, Young-Gyu;Lee, Yoon-Sik;Yoon, Je-Yong
    • Journal of Microbiology and Biotechnology
    • /
    • v.17 no.10
    • /
    • pp.1598-1606
    • /
    • 2007
  • A new series comprising 7 analogs of N-(sulfanyl ethanoyl)-L-HSL derivatives, 2 analogs of N-(fluoroalkanoyl)-$_L$-HSL derivatives, N-(fluorosulfonyl)-L-HSL, and 2,2-dimethyl butanoyl HSL were synthesized using a solid-phase organic synthesis method. Each of the 11 synthesized compounds was analyzed using NMR and mass spectroscopies, and molecular modeling studies of the 11 ligands were performed using SYBYL packages. Thereafter, a bacterial test was designed to identify their quorum-sensing inhibition activity and antifouling efficacy. Most of the synthesized compounds were found to be effective as quorum-sensing antagonists, where antagonist screening revealed that 10 among the 11 synthesized ligands were able to antagonize the quorum sensing of A. tumefaciens.

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 (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)

  • Park, Chang-Sik;Song, Suck-Oh;Lim, Jae-Sam;Soung, Min-Gyu;Sung, Nack-Do
    • Reproductive and Developmental Biology
    • /
    • v.33 no.1
    • /
    • pp.1-5
    • /
    • 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.

Axiomatic design study for automatic ship-to-ship mooring system for container operations in open sea

  • Kim, Yong Yook;Choi, Kook-Jin;Chung, Hyun;Lee, Phill-Seung
    • Ocean Systems Engineering
    • /
    • v.1 no.2
    • /
    • pp.157-169
    • /
    • 2011
  • To provide more rational design solutions at conceptual design level, axiomatic design method has been applied to solve critical part of a new engineering problem called Mobile Harbor. In the implementation, the Mobile Harbor, a functional harbor system that consists of a vessel with container crane approaches to a container ship anchored in the open sea and establishes a secure mooring between the two vessels to carry out loading and unloading of containers. For this moving harbor system to be able to operate successfully, a reliable and safe strategy to moor and maintain constant distance between the two vessels in winds and waves is required. The design process of automatic ship-to-ship mooring system to satisfy the requirements of establishing and maintaining secure mooring has been managed using axiomatic design principles. Properly defining and disseminating Functional Requirements, clarifying interface requirements between its subsystems, and identifying potential conflict, i.e. functional coupling, at the earliest stage of design as much as possible are all part of what need to be managed in a system design project. In this paper, we discuss the automatic docking system design project under the umbrella of KAIST mobile harbor project to illustrate how the Axiomatic Design process can facilitate design projects for a large and complex engineering system. The solidified design is presented as a result.

Distributed control system architecture for deep submergence rescue vehicles

  • Sun, Yushan;Ran, Xiangrui;Zhang, Guocheng;Wu, Fanyu;Du, Chengrong
    • International Journal of Naval Architecture and Ocean Engineering
    • /
    • v.11 no.1
    • /
    • pp.274-284
    • /
    • 2019
  • The control architectures of Chuan Suo (CS) deep submergence rescue vehicle are introduced. The hardware and software architectures are also discussed. The hardware part adopts a distributed control system composed of surface and underwater nodes. A computer is used as a surface control machine. Underwater equipment is based on a multi-board-embedded industrial computer with PC104 BUS, which contains IO, A/D, D/A, eight-channel serial, and power boards. The hardware and software parts complete data transmission through optical fibers. The software part involves an IPC of embedded Vxworks real-time operating system, upon which the operation of I/O, A/D, and D/A boards and serial ports is based on; this setup improves the real-time manipulation. The information flow is controlled by the software part, and the thrust distribution is introduced. A submergence vehicle heeling control method based on ballast water tank regulation is introduced to meet the special heeling requirements of the submergence rescue vehicle during docking. Finally, the feasibility and reliability of the entire system are verified by a pool test.

An Algorithm for Finding Surface Atoms of a Protein Molecule Based on Voxel Map Representation (복셀 맵을 이용한 단백질 표면 원자의 발견 알고리즘)

  • Kim, Byung-Joo;Kim, Ku-Jin;Seong, Joon-Kyung
    • The KIPS Transactions:PartA
    • /
    • v.19A no.2
    • /
    • pp.73-76
    • /
    • 2012
  • In this paper, we propose an efficient method to extract surface atoms from a protein molecule. Surface atoms are defined as a set of atoms who can contact given probe solvent $P$, where $P$ does not collide with the molecule. The atoms contained in the molecule are represented as a set of spheres with van der Waals radii. The probe solvent also is represented as a sphere. We propose a method to extract the surface atoms by computing the offset surface of the molecule with respect to the radius of $P$. For efficient computation of the offset surface of a molecule, a voxel map is constructed for the offset surfaces of the spheres. Based on GPU (graphic processor unit) acceleration, a data parallel algorithm is used to extract the surface atoms in 42.87 milliseconds for the molecule containing up to 6,412 atoms.

Visualization of Geometric Features in the Contact Region of Proteins (단백질 접촉 영역의 기하학적 특성 가시화)

  • Kim, Ku-Jin
    • KIPS Transactions on Software and Data Engineering
    • /
    • v.8 no.10
    • /
    • pp.421-426
    • /
    • 2019
  • In this paper, we propose a method to visualize the geometric features of the contact region between proteins in a protein complex. When proteins or ligands are represented as curved surfaces with irregularities, the property that the two surfaces contact each other without intersections is called shape compatibility. Protein-Protein or Protein-Ligand docking researches have shown that shape complementarity, chemical properties, and entropy play an important role in finding contact regions. Usually, after finding a region with high shape complementarity, we can predict the contact region by using residual polarity and hydrophobicity of amino acids belonging to this region. In the research for predicting the contact region, it is necessary to investigate the geometrical features of the contact region in known protein complexes. For this purpose, it is essential to visualize the geometric features of the molecular surface. In this paper, we propose a method to find the contact region, and visualize the geometric features of it as normal vectors and mean curvatures of the protein complex.

Experimental study on the spray characteristics of a dual-manifold liquid-centered swirl coaxial injector

  • Lee, Ingyu;Yoon, Jungsoo;Park, Gujeong;Yoon, Youngbin
    • International Journal of Aeronautical and Space Sciences
    • /
    • v.15 no.4
    • /
    • pp.444-453
    • /
    • 2014
  • A throttleable rocket engine enables operational possibilities such as the docking of spacecraft, maneuvering in a certain orbit and landing on a planet's surface, altitude control, and entrance to atmosphere-less planets. Thus, throttling methods have long been researched. However, dual-manifold injectors, which represent one throttling method, have been investigated less than others. In this study, dual-manifold and single-manifold injectors were compared to determine the characteristics of dual-manifold injectors. Also, the effects of gas injection were investigated with various F/O ratios. To investigate the characteristics, mass flow rate, spray pattern, spray angle, and droplet size were measured. The spray angle and droplet size were captured by indirect photography. About 30 images were taken to assess the spray patterns and spray angle. Also, 700 images were analyzed to understand the droplet distribution and targeting area, moving to the right from the centerline with 1.11-cm intervals. The droplet size was obtained from an image processing procedure. From the results, the spray angle showed two transition regions, due to swirl momentum in the swirl chamber regardless of the F/O ratio. The droplet size showed similar trends in both dual-manifold and single-manifold injectors except in the low mass flow rate region. In the case of the dual- manifold injector, the spray cone was not fully developed in the low mass flow rate region due to low angular momentum in the swirl chamber.