Rahman Md Mominur, Islam Md Rezaul, Rahman Firoza, Rahaman Md Saidur, Khan Md Shajib, Abrar Sayedul, Ray Tanmay Kumar, Uddin Mohammad Borhan, Kali Most Sumaiya Khatun, Dua Kamal, Kamal Mohammad Amjad, Chellappan Dinesh Kumar
Department of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Dhaka 1207, Bangladesh.
Discipline of Pharmacy, Graduate School of Health, University of Technology Sydney, Sydney, NSW 2007, Australia.
Bioengineering (Basel). 2022 Jul 25;9(8):335. doi: 10.3390/bioengineering9080335.
Research on the immune system and cancer has led to the development of new medicines that enable the former to attack cancer cells. Drugs that specifically target and destroy cancer cells are on the horizon; there are also drugs that use specific signals to stop cancer cells multiplying. Machine learning algorithms can significantly support and increase the rate of research on complicated diseases to help find new remedies. One area of medical study that could greatly benefit from machine learning algorithms is the exploration of cancer genomes and the discovery of the best treatment protocols for different subtypes of the disease. However, developing a new drug is time-consuming, complicated, dangerous, and costly. Traditional drug production can take up to 15 years, costing over USD 1 billion. Therefore, computer-aided drug design (CADD) has emerged as a powerful and promising technology to develop quicker, cheaper, and more efficient designs. Many new technologies and methods have been introduced to enhance drug development productivity and analytical methodologies, and they have become a crucial part of many drug discovery programs; many scanning programs, for example, use ligand screening and structural virtual screening techniques from hit detection to optimization. In this review, we examined various types of computational methods focusing on anticancer drugs. Machine-based learning in basic and translational cancer research that could reach new levels of personalized medicine marked by speedy and advanced data analysis is still beyond reach. Ending cancer as we know it means ensuring that every patient has access to safe and effective therapies. Recent developments in computational drug discovery technologies have had a large and remarkable impact on the design of anticancer drugs and have also yielded useful insights into the field of cancer therapy. With an emphasis on anticancer medications, we covered the various components of computer-aided drug development in this paper. Transcriptomics, toxicogenomics, functional genomics, and biological networks are only a few examples of the bioinformatics techniques used to forecast anticancer medications and treatment combinations based on multi-omics data. We believe that a general review of the databases that are now available and the computational techniques used today will be beneficial for the creation of new cancer treatment approaches.
对免疫系统和癌症的研究催生了新型药物,使免疫系统能够攻击癌细胞。专门靶向并摧毁癌细胞的药物即将问世;还有一些药物利用特定信号阻止癌细胞增殖。机器学习算法能够显著支持并提高复杂疾病的研究速度,助力寻找新的治疗方法。医学研究的一个领域有望从机器学习算法中大幅受益,即癌症基因组探索以及为该疾病的不同亚型发现最佳治疗方案。然而,研发一种新药耗时、复杂、危险且成本高昂。传统药物生产可能耗时长达15年,成本超过10亿美元。因此,计算机辅助药物设计(CADD)已成为一种强大且有前景的技术,能够实现更快、更廉价且更高效的设计。许多新技术和方法已被引入,以提高药物研发效率和分析方法,它们已成为许多药物发现项目的关键组成部分;例如,许多筛选程序使用从命中检测到优化的配体筛选和结构虚拟筛选技术。在本综述中,我们研究了专注于抗癌药物的各类计算方法。基础和转化癌症研究中的机器学习,若要达到以快速先进数据分析为标志的个性化医疗新水平,目前仍难以实现。要终结我们所知的癌症,意味着要确保每位患者都能获得安全有效的治疗。计算药物发现技术的最新进展对抗癌药物设计产生了重大且显著的影响,也为癌症治疗领域带来了有益的见解。本文重点关注抗癌药物,涵盖了计算机辅助药物研发的各个组成部分。转录组学、毒理基因组学、功能基因组学和生物网络只是用于基于多组学数据预测抗癌药物和治疗组合的生物信息学技术的几个例子。我们认为,对现有数据库和当前使用的计算技术进行全面综述,将有助于创建新的癌症治疗方法。