Cross Docking Research Articles

Computational drug repositioning for IL6 triggered JAK3 in rheumatoid arthritis using FDA database.

Rheumatoid Arthritis (RA) is a persistent autoimmune disease affecting approximately 0.5-1 percent of the world population. RA prevalence is higher in woman aged between 35 and 50years than in age matched men, though this difference is less evident among elderly patients. The profound immune specific effects of disrupted JAK 3 (Janus kinase 3) signaling highlight the possibility of therapeutic targeting of JAK3 as a highly specific mode of immune system suppression. To address the above problem which is unendurable to patients and in the hope to cater some respite to such suffering we have targeted JAK 3 protein and JAK/STAT signaling pathway with compounds downloaded from FDA database, and performed screening of all available compounds docked against JAK3 protein. The difference between the target protein and other proteins of the same family was studied using cross docking and the compounds having higher binding affinity to JAK3 protein also showed more selectivity towards the particular protein. Density functional theory and molecular dynamics simulation study was done to study the compounds at their atomic level to know more about their drug likeliness. At the end of the study and based on our analysis we have come up with three FDA approved drugs that can be proposed as a treatment option for Rheumatoid Arthritis.

Simulation and process mining in a cross-docking system: a case study

The increasing development of the competitive market has forced organisations to make great efforts in the processes of supply, production, and distribution to meet customer demand in the shortest time and at the lowest cost. A cross-docking (CD) system is one of the successful and practical strategies in this field considered by researchers in various fields. Also, business process management plays a key role in continuous improvement and increased productivity. In today’s digital age, due to the ability to record all activities, process mining is an important method to identify the current situation and improve productivity. In this research, a newly established CD belonging to a chain store is studied to improve the current situation, in which different goods enter and then exit after different processes. The purpose of this study is to obtain the optimal number of doors and loaders as sources. First, helping an RFID system, all activities are recorded, and the current situation of the processes is monitored, and then, the real process model is identified using heuristic and inductive miner algorithms. After adapting to the event log by using the simulation process in Arena software, different scenarios are examined, and the best possible case is presented.

INCIDENCE DE L’INTELLIGENCE ARTIFICIELLE ET DU « CROSSDOCKING » SUR LE RESEAU ROUTIER DE DISTRIBUTION DES PRODUITSDE SANTE AU SENEGAL

Introduction: The aim of the study was to describe theroad network for the health products distribution inSenegal and to theorize strategies for its improvementthrough the use of cross docks and artificialintelligence.Method : This is a retrospective, quantitative andqualitative study conducted in 2021. Visits andinterviews were organized in seven regions to collectinformation on the road network from actors in thehealth product supply chain.Results : Two hundred (200) routes are taken, 900,000km of road covered each year (2021 included) for aduration of 33,000 hours and with 2,380 night stops.These routes could be reduced by 27% by cross-dockplatforms and objectively by the use of artificialintelligence.Conclusion : The description of the road network forthe distribution of health products made it possible toconsider solutions for its improvement by cross-docking and the use of artificial intelligence.Keywords : Artificial intelligence ; cross-docking ; roadnetwork ; health products

A systematic pipeline of protein structure selection for computer-aided drug discovery: A case study on T790M/L858R mutant EGFR structures.

Virtual screening (VS) is a routine method to evaluate chemical libraries for lead identification. Therefore, the selection of appropriate protein structures for VS is an essential prerequisite to identify true actives during docking. But the presence of several crystal structures of the same protein makes it difficult to select one or few structures rationally for screening. Therefore, a computational prioritization protocol has been developed for shortlisting crystal structures that identify true active molecules with better efficiency. As identification of small-molecule inhibitors is an important clinical requirement for the T790M/L858R (TMLR) EGFR mutant, it has been selected as a case study. The approach involves cross-docking of 21 co-crystal ligands with all the structures of the same protein to select structures that dock non-native ligands with lower RMSD. The cross docking performance was then correlated with ligand similarity and binding-site conformational similarity. Eventually, structures were shortlisted by integrating cross-docking performance, and ligand and binding-site similarity. Thereafter, binding pose metadynamics was employed to identify structures having stable co-crystal ligands in their respective binding pockets. Finally, different enrichment metrics like BEDROC, RIE, AUAC, and EF1% were evaluated leading to the identification of five TMLR structures (5HCX, 5CAN, 5CAP, 5CAS, and 5CAO). These structures docked a number of non-native ligands with low RMSD, contain structurally dissimilar ligands, have conformationally dissimilar binding sites, harbor stable co-crystal ligands, and also identify true actives early. The present approach can be implemented for shortlisting protein targets of any other important therapeutic kinases.

A novel cross docking system for distributing the perishable products considering preemption: a machine learning approach

A novel cross docking system for distributing the perishable products considering preemption: a machine learning approach

Pengaruh Penerapan Sistem Manajemen Sumber Daya Perusahaan (ERP) dalam Meningkatkan Kinerja Manajemen Rantai Pasok (SCM) CV Sumber Cipta Agung

At this time, business is very easy to do because there are already systems that help the development of a business. There are several examples of business development systems, one of which is an ERP (Enterprise Resource Planning) system. With this system, it can help entrepreneurs to make a business plan so that it can run more effectively and efficiently. In addition to making business more effective and efficient, this system can also be combined with SCM (Supply Chain Management) so that these businesses can maximize the company's performance. There are lots of companies that use this ERP system, for example, CV Sumber Cipta Agung, which is engaged in producing food and beverages. CV Sumber Cipta Agung is a company engaged in the field of beverage manufacturers in the city of Batam which uses this system in developing its company to improve supply chain management (SCM) performance. The method used in this study is the method of interviews and literature review. CV Sumber Cipta Agung conducts its resource planning using SAP software and manages its supply chain system using the cross docking method.

Discovery of potent inhibitors targeting Glutathione S-transferase of Wuchereria bancrofti: a step toward the development of effective anti-filariasis drugs.

Lymphatic filariasis (LF) is one of the major health problems for the human kind in developing countries including India. LF is caused by three major nematodes namely Wuchereria bancrofti, Brugia malayi, and Brugia timori. The recent statistics of World Health Organization (WHO) showed that 51 million people were affected and 863 million people from 47 countries around worldwide remain threatened by LF. Among them, 90% of the filarial infection was caused by the nematode W. bancrofti. Approved drugs were available for the treatment of LF but many of them developed drug resistance and no longer effective in all stages of the infection. In the current research work, we explored the Glutathione S-transferase (GST) of W. bancrofti, the key enzyme responsible for detoxification that catalyzes the conjugation of reduced GSH (glutathione) to xenobiotic compounds. Initially, we analyzed the stability of the WbGST through 200 ns MD simulation and further structure-based virtual screening approach was applied by targeting the substrate binding site to identify the potential leads from small molecule collection. The in silico ADMET profiles for the top-ranked hits were predicted and the predicted non-toxic lead molecules showed the highest docking score in the range of -12.72 kcal/mol to -11.97 kcal/mol. The cross docking of the identified hits with human GST revealed the potential binding specificity of the hits toward WbGST. Through WbGST-lead complex simulation, the lead molecules were observed to be stable and also intactly bound within the binding site of WbGST. Based on the computational results, the five predicted non-toxic molecules were selected for the in vitro assay. The molecules showed significant percentage of inhibition against the filarial worm Setaria digitata which is the commonly used model organism to evaluate the filarial activity. In addition, the molecules also showed better IC50 than the standard drug ivermectin. The identified lead molecules will lay a significant insight for the development of new drugs with higher specificity and lesser toxicity to control and treat filarial infections.

Cross Docking koncept - uloga, prednosti i nedostaci

Market needs and demands are contingent upon continuous work on finding better, faster, more efficient and more economic systems of goods flow. The intention is to optimize the logistic processes along the supply chain in terms of achieving economic, temporal, spatial and environmental improvements. One of the possible methods to improve the efficiency of supply chains is the introduction of the cross-docking (CD) concept. The essence of the CD concept is reflected in the consolidation of goods flows into the CD terminals with little or no storage of goods. The objective is to achieve optimization of time, space and costs. This paper presents the role of the CD concept in logistics chains, description of the CD terminals, and then the advantages and disadvantages of their application. The primary objective of this paper is to present the role, advantages and disadvantages of implementing the CD concept in logistics chains

Improving cross docking systems by load integration: Meta-heuristics approach

Improving cross docking systems by load integration: Meta-heuristics approach

Unraveling Cross Docking: Operations Performance, Demand Uncertainty, and Fulfillment Mechanism

Unraveling Cross Docking: Operations Performance, Demand Uncertainty, and Fulfillment Mechanism

Optimizing Truch Scheduling in Cross Docking System under Uncertainty, Using Simulation Technique (Case Study: Central Fruit and Vegetable Warehouse of Tehran Municipality)

انبارداری متقاطع یک سیستم توزیع است که در آن کالاها با هدف آماده‌سازی در ظرفیت کامل ماشین‌‌‌های حمل و کاهش هزینه نگهداری موجودی از تأمین‌کنندگان به مقاصد تقاضا جابه­‌جا ‌‌می‌شوند. مسئله زمان‌بندی ماشین‌‌‌های حمل اخیراً توسط بسیاری از پژوهشگران موردمطالعه قرار گرفته، اما عمده این مطالعات در موارد و شرایط قطعی بوده است؛ درحالی‌که بسیاری از عدم­‌قطعیت‌ها در این فرآیند وجود دارد. در پژوهش حاضر، فرآیند مرتبط با عملیات انبار متقاطع در یک مرکز لجستیک (میدان مرکزی میوه و تره‌بار شهرداری تهران) با هدف کاهش زمان عملیات و سطح نگهداری موجودی، مشخص­‌کردن تعداد بهینه نیروی انسانی و با درنظرگیری عدم‌­قطعیت‌ها در زمان ورود ‌ماشین‌ها به انبار، زمان انجام عملیات بارگیری و تخلیه، زمان جابه­‌جایی در انبار و دسترسی به منابع و تجهیزات توسعه داده می­‌شود. بعلت پیچیدگی محاسباتی مدل‌‌‌های حل دقیق و آزمایش و ارزیابی گزینه‌‌‌های متنوع عملیات انبار از یک رویکرد ‌‌بهینه‌سازی مبتنی بر شبیه‌سازی استفاده شده است که تلفیقی از شبیه‌سازی، طراحی آزمایش‌ها و روش سطح پاسخ ‌‌است. روش سطح پاسخ نشان ‌‌می‌دهد که بهترین سناریو شامل ترکیب، جابه‌­جایی مستقیم کالاها، حالت سرویس انحصاری و روش «اولین ورود ـ اولین سرویس»، ‌‌است؛ همچنین نتایج عددی تصدیق ‌‌می‌کنند سناریوی پیشنهادی معیارهای عملکردی در انبار موردمطالعه را بسیار بهبود ‌‌می‌بخشد.

An optimization model for forklift utilisation and congestion control in cross-docking terminals

This study aims to optimize cross-docking (CD) performance and efficiency in CD assignment problems by maximising forklift utilisation inside the terminal. ‘We present a new Mixed-Integer Nonlinear programming (MINLP)’ model that considers truck-door assignment and forklift utilisation inside the airport. One objective is to enhance the quality of truck-door by minimising the total transshipment costs, including the penalty cost associated with forklift underutilisation, the total forklift travel distance cost, and the total weighted loading unloading and operator cost. Another objective is to control the forklift congestion by minimising the total number of forklifts needed to transfer products between multiple doors inside the terminal. Two algorithms, including the tabu-search and the best-local-point-finder, are proposed to accomplish these objectives. Our computational results show the advantage of the proposed algorithms over the CPLEX commercial solver.

A combination strategy of structure-based virtual screening, MM-GBSA, cross docking, molecular dynamics and metadynamics simulations used to investigate natural compounds as potent and specific inhibitors of tumor linked human carbonic anhydrase IX

Cancer remains a serious health concern representing one of the leading causes of deaths worldwide. The enzyme human carbonic anhydrase IX (hCA IX) is found to be over-expressed in many cancer types and its selective inhibition over its cytosolic off-target isoform, human carbonic anhydrase II (hCA II), represents a potential area of research in the development of novel anticancer compounds. This work is concerned with the use of various in silico tools for the identification of natural product based molecules that can selectively inhibit hCA IX over hCA II. MM-GBSA assisted structure-based virtual screening against hCA IX was performed for nearly 225,000 natural products imported from the ZINC15 database. The obtained hits were checked for their potency by considering acetazolamide, the bound inhibitor of hCA IX, as the reference molecule, and 121 molecules were identified as potent hCA IX inhibitors. After ensuring their potency, cross-docking, followed by MM-GBSA calculations of the hits with hCA II, was performed, and their selectivity was assessed by considering the hCA IX selective compound SLC-0111 as the reference molecule, and 50 natural products were identified as potent as well as selective hCA IX inhibitors. Molecules with the quinoline scaffold showed the highest selectivity, and their selectivity was attributed to the strong electrostatic interactions of the zinc binding group (ZBG) with the active site Zn(II) ion. Furthermore, the stability of the binding modes of the top hCA IX selective hits was ensured by performing molecular dynamics (MD) simulations, which clearly proved that one of the short-listed molecules is truly selective, as it does not interact with the active site Zn(II) ion of hCA II, but interacts strongly with this ion in hCA IX. Bonding pose metadynamics studies revealed that the ligand moves to a more stable binding site from the one predicted by the docking studies and shows stronger interaction with the protein and Zn(II) at this binding site. The ligand is not likely to have issues with bioavailability. As a result, this ligand can be taken for bioassay testing and subsequently used as a feasible therapeutic treatment for a variety of cancer types. Communicated by Ramaswamy H. Sarma

Scheduling of the inbound and outbound trucks at a Cross-Docking platform considering mutualization of docks

Paper aims This paper studies a new Cross-Docking (CD) scheduling problem inspired by the trend of resource mutualization at CD operations where a company owning a CD platform can lease its docks to other companies. Originality This work pioneers the studies of the resource mutualization at CD operations solving at scheduling problem, where there is a set of requirements for leasing the loading and unloading docks for a period, and the company owning the docks can accept or decline each requirement. Considering that the availability of the docks is linked to scheduling the trucks at the company’s loading and unloading docks, the decision to accept the requirements must be made along with the decisions for scheduling the trucks. Research method To solve this problem, this work proposes a Mixed-Integer Linear Programming (MILP) formulation. Main findings Using a commercial solver, the MILP formulation can optimally solve 65/128 instances based on a real operation. For the remaining instances, the MILP formulation obtains an average optimized gap of 8.95%. Implications for theory and practice The MILP formulation obtains acceptable results. Moreover, we found that all the instances accepted the requirements showing that it is economically interesting to lease docks.

Self-docking and cross-docking simulations of G protein-coupled receptor-ligand complexes: Impact of ligand type and receptor activation state

G protein-coupled receptors (GPCR) are the largest family of cell surface receptors in vertebrates. Their abundance and role in nearly all physiological systems make GPCR the largest protein family targeted for development of pharmaceuticals. Ligand discovery aimed at identification of chemical tools and drug leads is aided by molecular docking simulations that allow critical analysis of the potential interactions between small molecules and proteins in resulting complexes. However, blind assessments of ligand pose quality and affinity prediction have thus far not provided broadly generalizable performance expectations for docking into experimentally-characterized GPCR targets. Likewise, the relative importance of receptor activation state and ligand function differences have also not been systematically assessed. This study compares performance when docking ligands of varied function into varied GPCR activation states in the absence of extensive resampling of the input GPCR structure, and only limited sidechain flexibility after ligand placement. Simulations were performed using 37 experimental structures of 11 Class A GPCR crystallized in multiple activation states (giving rise to 37 self-docking and 68 cross docking simulations). Our results show that one specific subset of cross-docking simulations gave results of similar quality to self-docking. Median ligand RMSD values for top-scored poses were 1.2 Å and 2.0 Å for self-docking and StateMatch/FunctionMatch cross-docking, respectively. The distributions of ligand RMSD values were not statistically different for these two conditions, according to a Kolmogorov-Smirnov test. Therefore, docking performance against GPCR targets can be estimated in advance based on docking target structure activation states, with higher accuracy expected when docking agonists into active state structures and inverse agonists or antagonists into inactive state structures. Receptor conformational sampling in advance of docking or receptor conformational adjustment after docking are more likely to produce substantial improvements for other pairings of receptor activation state and ligand function.

Applying Simulation Modelling in Quantifying Optimization Results

Improvements achieved by applying linear programming models in solving optimization problems in logistics cannot always be expressed by physically measurable values (dimensions), but in non-dimensional values. Therefore, it may be difficult to present the actual benefits of the improvements to the stake holders of the system being optimized. In this article, a possibility of applying simulation modelling in quantifying results of optimizing cross dock terminal gates allocation is outlined. Optimal solution is obtained on the linear programming model by using MS Excel spreadsheet optimizer, while the results are quantified on the simulation model, by using Rockwell Automation simulation software. Input data are collected from a freight forwarding company in Zagreb, specialized in groupage transport (Less Than Truckload - LTL).

Green routing in a two-level network of cross docks given the shipping price (Case study: Pegah Co.)

In this study, a green routing model is provided in a two-level network of cross docking given the shipping price. Three objectives were proposed in this model including: total cost reduction, shipping costs reduction and carbon emissions reduction. The overall objective of the model, is getting the best route in the distribution network which will impose the least cost and also minimizes emissions of environmental pollutants. For the model to approach the real situation, Pegah corporation’s warehouses and distribution network are considered as a case study. Solving the developed model was carried out by GAMS. By the size of the problem increasing, the running time of the program is notably increased and this means the problem is np-hard. So, in order to solve the model in medium and large dimensions, we used meta-heuristic MOGWO and NSGA II algorithm. The results of investigating various problems with meta-heuristics, indicates the high performance of the proposed algorithm in terms of the time needed and the response achieved. Results indicated that the proposed model reduced the emission of environmental pollutants along with total cost and shipping cost reduction. Also given the time window, the products were shipped to customers in a timely manner.

Optimizing consolidation processes in hubs: The hub-arrival-departure problem

To realize economies of scale in transportation, hubs are important entities in today’s distribution networks. Hubs, such as cross docks for trucks, central ports for container vessels, transshipment yards for freight trains, and air hubs for airplanes, allow to consolidate less-than-vehicle-load shipments and to improve the utilization of transport capacities. In this context, we consider a generic optimization problem to streamline hub processes. We assign vehicles consolidating their shipments at a central hub each an arrival time slot where a vehicle is unloaded and a later departure time slot where it is loaded with the goods it takes back to its designated territory. Since the processing of goods inside a hub terminal takes some time, we want to synchronize the exchange of goods among vehicles such that three different consolidation-oriented objectives are optimized. For instance, we aim to minimize the number of goods missing their dedicated departures after a fixed consolidation time for goods inside the hub. We prove important structural properties, provide a comprehensive analysis of computational complexity, and derive suited solution procedures. Our problem occurs in the real world at the air hub of postal service provider DHL in Leipzig, where freight airplanes from all over the world exchange goods and need to be assigned landing and departure slots on the runway. Our problem, however, is generic, and we sketch some extensions in order to adapt it to further hubs.

Design and development of the trailers optimal allocation and schedule model in the supply chain system with considering cross dock with stochastic planning

Todays, transportation, and logistics engineering processes are among the important issues of organizations in the competitive market. Considering the logistical structure of the logistics engineering and the more attention paid to the logistical tools and, in particular, such as the use of these tools, such as containers (pallets, containers, etc.), transportation equipment (trailer, forklift trucks, etc.), and The art of building the supply and distribution network concerning the main warehouses, cross-dock, and temporary storage, is one of the most critical and contemplative cases. In fact, all these tools work together to maximize system efficiency in the field of logistics concerning the leading impact indicators, including the time of shipment (loading, disloading, the allocation of trailers, etc.). This paper's main goal is to present and develop a mathematical model of trailer schedule planning in possible conditions in the cross-dock. In fact, the main function of this mathematical model is to minimize the total time of the logistics process from the stage of emptying the pallets from the materials producers in the cross docks and assigning the trailer to the door, and finally reloading the pallets to be distributed to the production sites. To solve this model and to analyze the outputs, mixed integer programming was used by GAMS software.

PROPOSTA DE MELHORIA PARA REDUÇÃO DOS CUSTOS COM O SISTEMA CROSS

Este artigo se propõe a um levantamento e análise das percepções dos stakeholders sobre a logística de distribuição de uma empresa de eletrônicos, tendo como foco a redução dos custos logísticos de armazenagem e transferências, como proposta a implementação de um Sistema Cross Docking. Para tal foi realizado um estudo de caso, com abordagem qualitativa por meio de entrevistas, em uma empresa de eletrônicos, setor de Customer Service. O método utilizado foi o de estudo de caso, baseado em método observacional, empírico, aliado a pesquisas bibliográficas, contendo aspectos de pesquisa qualitativa, aplicando questionário e entrevistas com os stakeholders da organização.