Molecular Docking Software Market
Number of pages: 100 | Report Format: PDF | Published date: March 17, 2023
Historical Years – 2021 | Base Year – 2022 | Forecasted Years – 2023-2031
|
Report Attribute |
Details |
|
CAGR |
7.5% |
|
Base Year for Estimation |
2022 |
|
Forecast Period |
2023-2031 |
|
Historical Year |
2021 |
|
Segments Covered |
Product, Application, End User, and Region |
|
Regional Scope |
North America, Europe, Asia Pacific, Latin America, and the Middle East & Africa |
According to the deep-dive market assessment study by Growth Plus Reports, the global molecular docking software market is expected to register a revenue CAGR of 7.5% during the forecast period.
Molecular Docking Software Market Fundaments
The molecular docking technique investigates the behavior of small compounds in a target protein’s binding site. Molecular docking is becoming more popular in drug development as more protein structures are discovered experimentally using X-ray crystallography or nuclear magnetic resonance spectroscopy. Docking against homology-modeled targets is also possible for proteins with unknown structures. Protein-ligand or protein-protein docking is used in current drug development to anticipate the orientation of a ligand when it is attached to a protein receptor or enzyme by quantifying shape and electrostatic interactions. With Coulombic interactions and hydrogen bond formation, van der Waals interactions play a significant role. A docking score, which measures the potentiality of binding, approximates the total of all these interactions. The ligand is searched in a six-dimensional rotational or translational space to fit in the binding site in the simplest rigid-body systems, which can serve as a lead molecule for drug development.
The docking technique consists of two main steps: predicting the ligand structure and its location and orientation inside these sites (known as pose) and evaluating the binding affinity. These two processes are associated with sampling techniques and scoring algorithms. Understanding the location of the binding site before docking operations dramatically improves docking efficiency. The binding site is identified in many situations before docking ligands onto it. Moreover, information about the sites can be obtained by comparing the target protein to a family of proteins with comparable functions or proteins co-crystallized with other ligands. Without knowledge about the binding sites, cavity detection tools or online services, such as GRID, POCKET, SurfNet, PASS, and MMC, can be used to locate probable active sites within proteins. Blind docking is docking without making any assumptions about the binding location.
To score the numerous possible binding modes, all docking algorithms require a scoring function and a search mechanism to explore the state variables. Search techniques are classified into two types: systematic and stochastic. Scoring systems might be empirical, force field-based, or knowledge-based. Systematic search methods are deterministic and sample the search space at preset intervals. Stochastic search methods produce random changes to state variables iteratively until a user-defined termination condition is fulfilled. Search techniques are also characterized according to how extensively they search the search space, either local or global. Local search techniques seek the closest or least local energy to the existing conformation, whereas global search methods seek the best or lowest global energy within the chosen search region. Hybrid global-local search approaches have been found to outperform global methods alone, being more efficient and capable of locating lower energies.
Molecular Docking Software Market Dynamics
More and more scientists and researchers are employing molecular docking software to evaluate drug efficacy. They believe this is a more cost-effective and safer method of quickly bringing novel medications to market. Another factor driving revenue growth in the molecular docking software market is the increasing number of individuals globally suffering from chronic long-term illnesses, such as diabetes, Alzheimer’s, and cancer. Only potent and effective pharmaceutical medications can adequately cure them. The biosimilars and biologics businesses are rapidly expanding. In recent years, this has been a primary driver of revenue growth in the molecular docking software market. The market is driven by technological improvements and developments and increased R&D expenditure by pharmaceutical and biotechnology companies.
The increasing usage of molecular docking by scientists to perform many simulations can significantly speed up drug development. Furthermore, governments in numerous developing countries encourage using bioinformatics for rapid pharmaceutical development. For instance, the Indian Government held a Drug Discovery Hackathon in July 2020. It is a training program aimed at facilitating the development of an effective molecule against the COVID-19 virus through drug discovery informatics tools with potential applications in lead molecule identification, validation, design, and synthesis.
However, most molecular docking software are expensive, and calculating the likely return on investment may need specialist understanding. Throughout the drug development process, open-source software may be unable to suit the needs of pharmaceutical and biotechnology corporations. It suggests purchasing specially tailored software, which may be more expensive and boost the ultimate medicine price. Many organizations, particularly small enterprises, and firms with little cash and financial resources, may benefit from molecular docking to optimize their operations. As most software are pricey, many firms and organizations do not employ technology in their everyday operations. A shortage of qualified and skilled experts and the high cost of these equipment restrict the market development to some extent.
Molecular Docking Software Market Ecosystem
The global molecular docking software market has been analyzed from four perspectives: product, application, end-user, and region.
Molecular Docking Software Market by Product
[93643]
Based on the product, the global molecular docking software has been segmented into software and services.
The software segment is likely to dominate the market during the forecast period. Molecular docking software assists numerous molecular design processes, including molecular docking, chemical structure calculations, protein simulations, and other operations in drug design and bioinformatics. Additionally, molecular docking software may be used in various scientific fields, such as computational chemistry and material sciences. The number of important protein-ligand docking software available today is large. It has gradually expanded over the previous several decades. AutoDock, DOCK, FlexAID, LeDock, Glide, Molecular Operating Environment, rDock, and SEED are some of the software. For instance, AutoDock is a set of automated docking algorithms that can predict how a tiny molecule will attach to a protein or nucleic acid target.
Molecular Docking Software Market by Application
Based on application, the molecular docking software market has been segmented into drug discovery, drug development, and others.
The drug discovery segment will likely dominate the market during the forecast period. Molecular docking is a useful approach in drug development because it predicts the binding of a small molecule (a drug candidate) to a protein target, which is required for the medicine to be effective. The main concept is to utilize computer algorithms to simulate the interaction of the small molecule with the target protein and forecast the small molecule’s binding affinity for the protein. Molecular docking is frequently employed in the early phases of drug development to find prospective drug candidates with high affinity for the target protein. This reduces the number of molecules manufactured and studied in vitro or in vivo, saving time and resources.
Molecular Docking Software Market by End-user
Based on the end-user, the molecular docking software market has been segmented into pharmaceuticals & biotechnology companies, research & academic institutes, and others.
The research & academic institutes segment is expected to dominate the market during the forecast period. Molecular docking is a valuable technique in drug development. This program is highly used in research and academic institutes to investigate new proteins and ligand interaction applications. Experimental and computational techniques in drug design and discovery are complementary approaches. On the other hand, it is a safe and simple tool that assists in exploring, interpreting, explaining, and identifying molecular properties using three-dimensional structures. For instance, 3D modeling software is a great tool that assists many professionals in developing complex 3D graphics and displaying their work. In drug development, molecular docking is used to predict the structure of an intermolecular complex formed by two or more constituent molecules.
Molecular Docking Software Market by Region
Based on region, the molecular docking software market has been segmented into North America, Europe, Asia Pacific, Latin America, and the Middle East & Africa.
The rising incidence of chronic diseases and the increasing demand for better modeling tools to investigate disease prevalence to create effective therapies are projected to drive market expansion in North America. According to the American Cancer Society’s Cancer Facts and Statistics data published in January 2022, an estimated 1.9 million new cancer cases will be diagnosed in the United States year 2022. Similarly, according to the heart disease and Stroke Statistics, Fact Sheet issued in May 2022, a myocardial infarction is expected to occur every 40 seconds in the United States. Similarly, according to CDC statistics updated in September 2021, around 6.5 million adults aged 40 and older in the United States have peripheral arterial disease. Furthermore, according to the Heart and Stroke Foundation of Canada, 750,000 individuals will live with heart failure in February 2022, with 100,000 new cases diagnosed yearly. Thus, the prevalence of chronic illnesses in the nation, combined with an expanding elderly population, is expected to offer greater prospects for developing innovative molecular docking software for the drug discovery and development process.
Over the forecast period, the Asia Pacific molecular docking software market is expected to have the fastest revenue CAGR. This is primarily due to the rise of contract research firms (especially in countries such as India and Singapore.) Governments in the Asia Pacific region are likewise becoming much wealthier. This has enabled them to invest more in healthcare. They are funding more research that employs molecular docking software, and the results are amazing. This region’s biotech and pharmaceutical industries can develop a new generation of stronger, more effective treatments with fewer adverse effects. Moreover, another factor driving revenue growth in the Asia Pacific is the improvement of healthcare infrastructure and standards.
Molecular Docking Software Market Competitive Landscape
Companies are discovering that to prosper with strategic alliances, they must enter into strategic partnerships and merge with/acquire other companies. They can increase the total monetary resources available for research and development by pooling the funds of the partnership’s companies. This enables them to manufacture better, more effective, and safer medications in less time. Strategic alliances also enable companies to strengthen their position in current markets. It allows them to enter new markets with confidence.
The prominent players in the global molecular docking software include:
Molecular Docking Software Market Strategic Developments
The molecular docking technique investigates the behavior of small compounds in a target protein’s binding site. Molecular docking is becoming more popular in drug development as more protein structures are discovered experimentally using X-ray crystallography or nuclear magnetic resonance spectroscopy.
The software segment leads the global molecular docking software market in terms of revenue share.
Asia Pacific is the key revenue growth region in the global molecular docking software market.
Key players in the global molecular docking software include Schrodinger, Inc., Chemical Computing Group, and Scripps Research Institute.
The molecular docking software market is expected to register a revenue CAGR of 7.5% during the forecast period.
*Insights on financial performance are subject to the availability of information in the public domain