Allergens have the ability to enter the body and cause illness. Leukotriene is the widespread allergen which could stimulate mast cells to discharge histamine which causes allergy symptoms. An effective strategy for treating leukotriene-induced allergy is to find the inhibitors of leukotriene or histamine activity from phytochemicals. For this purpose, a library of 8,500 phytochemicals was generated using MOE software. The structures of histamine-1 receptor and cysteinyl leukotriene receptor-1 were predicted by the homology modeling method through the SWISS model. The phytochemicals were docked with predicted structures of histamine-1 and cysteinyl leukotriene receptor-1 in MOE software to determine the binding affinity of the phytochemicals against the targets. Moreover, chemoinformatics properties and ADMET of phytochemicals were assessed to find the drug likeness behavior of compounds. Compound ID 10054216 has the lowest -score value for H-1 receptor that is -18.9186 kcal/mol which is lower than the value of standard -15.167 kcal/mol. The other compounds 393471, 71448939, 10722577, and 442614 also showed good -score values than the standard. Moreover, compound ID 11843082 has the lowest -score value for CL1R that is -15.481 kcal/mol which is lower than the value of standard -12.453 kcal/mol. The other compounds 72284, 5282102, 66559251, and 102506430 also showed good -score values than the standard. In this research article, we performed molecular docking to find the best inhibitors against H1R and CL1R and their antiallergic efficacy. This in silico knowledge will be helpful in near future for the design of novel, safe, and less costing H-1 receptor and CL1R inhibitors with the aim to improve human life quality.

Background: The non-coding RNA identification at the organelle genome level is a challenging task. In our previous work, an ncRNA dataset with less than 80% sequence identity was built, and a method incorporating an increment of diversity combining with support vector machine method was proposed. Objective: Based on the ncRNA_361 dataset, a novel decision-making method-an improved KNN (iKNN) classifier was proposed. Methods: In this paper, based on the iKNN algorithm, the physicochemical features of nucleotides, the degeneracy of genetic codons, and topological secondary structure were selected to represent the effective ncRNA characters. Then, the incremental feature selection method was utilized to optimize the feature set. Results: The results of iKNN indicated that the decision-making method of mean value is distinctly superior to the traditional decision-making method of majority vote the Increment of Diversity Combining Support Vector Machine (ID-SVM). The iKNN algorithm achieved an overall accuracy of 97.368% in the jackknife test, when k=3. Conclusion: It should be noted that the triplets of the structure-sequence mode under reading frames not only contains the entire sequence information but also reflects whether the base was paired or not, and the secondary structural topological parameters further describe the ncRNA secondary structure on the spatial level. The ncRNA dataset and the iKNN classifier are freely available at http://202.207.14.87:8032/fuwu/iKNN/index.asp.