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Relevant bibliographies by topics / PASS (Prediction of Activity Spectra for Biologically Active Substances)

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Academic literature on the topic 'PASS (Prediction of Activity Spectra for Biologically Active Substances)'

Author: Grafiati

Published: 4 June 2025

Last updated: 1 August 2025

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Journal articles on the topic "PASS (Prediction of Activity Spectra for Biologically Active Substances)"

1

Lagunin, A., A. Stepanchikova, D. Filimonov, and V. Poroikov. "PASS: prediction of activity spectra for biologically active substances." Bioinformatics 16, no. 8 (2000): 747–48. http://dx.doi.org/10.1093/bioinformatics/16.8.747.

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2

КЕҢЕСХАНОВА, С. Ж., Ж. Б. МУКАЖАНОВА, and М. М. ИБРАЕВА. "PREDICTION OF BIOLOGICAL ACTIVITY OF FLAVONOIDS ISOLATED FROM VERBASCUM ORIENTALE PLANT GROWING IN EASTERN KAZAKHSTAN REGION USING PASS PROGRAM." Yessenov Science Journal 49, no. 4 (2024): 55–61. https://doi.org/10.56525/oajb1571.

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Chemogenomics is a new multidisciplinary field of science, the ultimate goal of which has been studied by various authors (Caron et al., 2001; Kubini, 2006; Rognan, 2007) to establish complete correspondence between all ligands in biological objects. Chemogenomics uses methods of establishing patterns based on computer analysis of information in chemical and biological databases. The goal of creating and developing the computer program PASS (Prediction of Activity Spectrum of Substances) is to predict all types of biological activity that a chemical substance can exhibit when interacting with

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3

RANJINI, R. "Biological activity spectra of the main phytochemicals of Silybum marianum L. Gaertn. by in silico study." Journal of Medicinal and Aromatic Plant Sciences 45, no. 1 (2023): 38–45. http://dx.doi.org/10.62029/jmaps.v45i1.ranjini.

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The main objective of bioinformatics is to augment the perception of biological data. Bioinformatics gains information from computer analysis of biological practices. Biologically active principles have both pharmaceutical and adverse effects on the organisms. PASS (Prediction of Activity Spectra for Substances) software is used to estimate the general efficacy and safety of the phytochemicals. PASS simultaneously predicts several hundreds of biological activities of natural and synthetic chemical compounds. The average precision of prediction is about 90%. The extract from the seed of Silybum

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4

Ionov, N. S., M. A. Baryshnikova, E. V. Bocharov, et al. "Possibilities of in silico estimations for the development of pharmaceutical composition phytoladaptogene cytotoxic for bladder cancer cells." Biomeditsinskaya Khimiya 67, no. 3 (2021): 278–88. http://dx.doi.org/10.18097/pbmc20216703278.

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Based on the prediction of biological activity spectra for several secondary metabolites of medicinal plants using the PASS computer program and validation in vitro of the predictions results the priority direction of the pharmaceutical composition Phytoladaptogene (PLA) development was determined. PLA is a complex of structurally diverse small organic compounds including biologically active substances of phytoadaptogenes (ginsenosides from Panax ginseng, rhodionin from Rhodiola rosea and others) compiled considering previously developed pharmaceutical compositions. Two variants of the pharmac

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5

Kawsar, Sarkar Mohammad Abe, Mebarka Ouassaf, Samir Chtita, Aishi Barua Jui, and Salah Belaidi. "PASS prediction, molecular docking and pharmacokinetic studies of acyl substituted bioactive galactopyranoside esters as antibacterial agents." Macedonian Journal of Chemistry and Chemical Engineering 41, no. 1 (2022): 47–64. http://dx.doi.org/10.20450/mjcce.2022.2403.

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Currently, methyl-β-D-galactopyranoside (MDG) esters have become a focus of attention due to their promising biological and pharmacokinetic properties and could be a good choice in unraveling the global issue of pathogenic multidrug resistance. Structural modification of MDG can improve its mode of biological activity. In line with these efforts, a series of previously synthesized MDG esters were designed and evaluated by Prediction of Activity Spectra for Substances (PASS), molecular docking simulation, and pharmacokinetic depiction. Encouraging PASS activity was observed for several aliphati

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Katiyar, Deepti, Vijender Singh, and Mohammed Ali. "ISOLATION, CHARACTERIZATION AND PREDICTION OF BIOLOGICAL ACTIVITY OF TWO NEW FATTY ESTERS AND A PHENOL FROM THE HEARTWOOD OF PTEROCARPUS MARSUPIUM ROXB." International Journal of Pharmacy and Pharmaceutical Sciences 9, no. 2 (2017): 117. http://dx.doi.org/10.22159/ijpps.2017v9i2.15938.

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<p><strong>Objective: </strong>The current investigation involves the isolation, characterization and prediction of biological activity spectra of the phytoconstituents from the ethanolic extract of the heartwood of <em>Pterocarpus marsupium</em> roxb. (Fabaceae).<strong></strong></p><p><strong>Methods: </strong>The heartwood (3 kg) was extracted in alcohol by cold maceration for 21 d and the compounds were isolated by column chromatography. The compounds thus isolated were characterised and their structures were elucidated by u

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7

Tessema, Fekade Beshah, Yilma Hunde Gonfa, Tilahun Belayneh Asfaw, Mesfin Getachew Tadesse, and Rakesh Kumar Bachheti. "Antioxidant Activity of Flavonoids and Phenolic Acids from Dodonaea angustifolia Flower: HPLC Profile and PASS Prediction." Journal of Chemistry 2023 (March 30, 2023): 1–11. http://dx.doi.org/10.1155/2023/8315711.

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Background. Dodonaea angustifolia is a known medicinal plant across East Arica. The flower of D. angustifolia is not well investigated in terms of phytochemistry and biological activities. This study aims to investigate the presence of flavonoids and phenolic acids in the flower of D. angustifolia and its antioxidant activity. Methods. Preliminary phytochemical screening was carried out using the standard protocols. Antioxidant activity evaluation using DPPH assay and total phenol content (TPC) and total flavonoid content (TFC) determinations in the flower extract were compared with the values

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8

Sultana, Shahin, d. Ahad Hossain, Md Mazherul Islam, and Sarkar M. A. Kawsar. "Antifungal potential of mannopyranoside derivatives through computational and molecular docking studies against Candida albicans 1IYL and 1AI9 proteins." Current Chemistry Letters 13, no. 1 (2024): 1–14. http://dx.doi.org/10.5267/j.ccl.2023.9.004.

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Methyl α-D-mannopyranoside (MAM) is a naturally occurring carbohydrate derivative that has gained attention in drug discovery due to its potential therapeutic applications, particularly as an antifungal agent. In this study, we employed a computational approach to investigate the interactions between MAM and two Candida albicans antifungal proteins, 1IYL and 1AI9, through molecular docking simulations. Furthermore, we performed a PASS (Prediction of Activity Spectra for Substances) analysis to predict MAM potential biological activities, explored the pharmacokinetic properties and ADMET (absor

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9

Mardiana, Primadhanty B, Adniana N, et al. "Analisis In Silico pada VCO untuk Terapi Dermatitis Atopik." MEDICINUS 33, no. 3 (2020): 32–37. http://dx.doi.org/10.56951/medicinus.v33i3.74.

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Latar belakang: Analisis in silico digunakan pada tahap awal penelitian dalam penemuan obat baru untuk efisiensi biaya dan waktu. Virgin Coconut Oil (VCO) merupakan salah satu pilihan terapi pada kasus dermatitis atopik karena memiliki fungsi memperbaiki barrier kulit dan antiinflamasi. Tujuan: Untuk mengevaluasi kandungan VCO menggunakan analisis in silico secara komputasional pada pengobatan dermatitis atopik. Metode: Senyawa aktif Cocos nucifera yang diekstraksi dari database KNApSAcK diprediksi secara eksperimental dan dianalisis secara komputasi menggunakan Simplified Molecular-Input Line

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Chiriapkin, A. S., I. P. Kodonidi, and M. V. Larsky. "Targeted Synthesis and Analysis of Biologically Active Azomethine Derivatives of 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide." Drug development & registration 10, no. 2 (2021): 25–31. http://dx.doi.org/10.33380/2305-2066-2021-10-2-25-31.

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Introduction. Azomethine derivatives of 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide are acyclic precursors of biologically active compounds derived from 5,6,7,8-tetrahydro-3H-benzoteopheno[2,3-d]pyrimidine-4-one. Examples of these groups of compounds with different pharmacological properties are given in the literature, but their cytostatic effect is mainly described. These data and the preparative availability allow us to judge the prospects for further study and molecular design in a number of azomethine derivatives of 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

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