{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,25]],"date-time":"2026-09-25T18:33:41Z","timestamp":1790361221388,"version":"4.1.0"},"reference-count":56,"publisher":"MDPI AG","issue":"3","license":[{"start":{"date-parts":[[2025,3,13]],"date-time":"2025-03-13T00:00:00Z","timestamp":1741824000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"The University of Queensland","award":["APP1175047"],"award-info":[{"award-number":["APP1175047"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJERPH"],"abstract":"<jats:p>The impacts of air pollution on human health have become a major concern, especially with rising greenhouse gas emissions and urban development. This study investigates the molecular mechanisms using the STITCH 4.0 and STRING 9.0 databases to analyze the interaction networks (PCI and PPI) associated with two air pollutants: carbon monoxide and hydrogen sulfide. The functional and pathway analysis related to these pollutants were performed by OmicsBox v.3.0. Additionally, critical proteins and their essential pathways were also identified by the Cytoscape networking tool v.3.10.3. AutoDock vina was employed to hypothetically determine the direct interactions of CO and H2S with the proteins that were found by STITCH. This study revealed that CO and H2S interacted with the different biological processes related to human health, including erythropoiesis, oxidative stress, energy production, amino acids metabolism, and multiple signaling pathways associated with respiratory, cardiovascular, and neurological functions. Six essential proteins were identified based on their degree of centrality, namely, FECH, HMOX1, ALB, CTH, CBS, and CBSL, which regulate various Reactome and KEGG pathways. Molecular docking analysis revealed that CO exhibited a strong interaction with ADI1, demonstrating a binding affinity of \u22121.9 kcal\/mL. Alternately, the binding energy associated with the H2S interaction was notably weak (below \u22120.9 kcal\/mL). This present research highlights the necessity for ongoing investigation into the molecular effects of air pollution to guide public health policies and interventions.<\/jats:p>","DOI":"10.3390\/ijerph22030418","type":"journal-article","created":{"date-parts":[[2025,3,13]],"date-time":"2025-03-13T04:18:32Z","timestamp":1741839512000},"page":"418","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Modeling the Interactions Between Chemicals and Proteins to Predict the Health Consequences of Air Pollution"],"prefix":"10.3390","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0009-0007-8248-7869","authenticated-orcid":false,"given":"Md. Ramjan","family":"Sheikh","sequence":"first","affiliation":[{"name":"Department of Biochemistry and Molecular Biology, Gono Bishwabidyalay, Dhaka 1344, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0002-2358-0960","authenticated-orcid":false,"given":"Hasna Heena","family":"Mahmud","sequence":"additional","affiliation":[{"name":"Department of Disaster Science and Climate Resilience, University of Dhaka, Dhaka 1000, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-3500-2224","authenticated-orcid":false,"given":"Md. Saikat","family":"Hossen","sequence":"additional","affiliation":[{"name":"Department of Soil and Environmental Sciences, University of Barishal, Barishal 8254, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Disha","family":"Saha","sequence":"additional","affiliation":[{"name":"Department of Crop Physiology and Ecology, Hajee Mohammad Danesh Science and Technology University, Dinajpur 5200, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5016-6055","authenticated-orcid":false,"given":"Md. Ekhlas","family":"Uddin","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology, Gono Bishwabidyalay, Dhaka 1344, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0977-4593","authenticated-orcid":false,"given":"Md. Fuad","family":"Hossain","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Molecular Biology, Gono Bishwabidyalay, Dhaka 1344, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4062-3750","authenticated-orcid":false,"given":"Md. Kamruzzaman","family":"Munshi","sequence":"additional","affiliation":[{"name":"Institute of Food and Radiation Biology, Bangladesh Atomic Energy Commission, Dhaka 1000, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8099-3863","authenticated-orcid":false,"given":"Abu Ali Ibn","family":"Sina","sequence":"additional","affiliation":[{"name":"Center for Personalized Nanomedicine, Australian Institute for Bioengineering & Nanotechnology (AIBN), The University of Queensland, Brisbane, QLD 4072, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,3,13]]},"reference":[{"key":"ref_1","unstructured":"Grieger, K.D. (2011). 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