Structure-Activity Relationship

"Structure-Activity Relationship" is a descriptor in the National Library of Medicine's controlled vocabulary thesaurus, MeSH (Medical Subject Headings). Descriptors are arranged in a hierarchical structure, which enables searching at various levels of specificity.

MeSH information

Definition | Details | More General Concepts | Related Concepts | More Specific Concepts

The relationship between the chemical structure of a compound and its biological or pharmacological activity. Compounds are often classed together because they have structural characteristics in common including shape, size, stereochemical arrangement, and distribution of functional groups.

Descriptor ID	D013329
MeSH Number(s)	G02.111.830 G07.690.773.997
Concept/Terms	Structure-Activity Relationship Structure-Activity Relationship Relationship, Structure-Activity Relationships, Structure-Activity Structure Activity Relationship Structure-Activity Relationships

Below are MeSH descriptors whose meaning is more general than "Structure-Activity Relationship".

Biological Sciences [G]
Chemical Phenomena [G02]
Biochemical Phenomena [G02.111]
Structure-Activity Relationship [G02.111.830]
Physiological Phenomena [G07]
Pharmacological and Toxicological Phenomena [G07.690]
Pharmacological Phenomena [G07.690.773]
Structure-Activity Relationship [G07.690.773.997]

Below are MeSH descriptors whose meaning is related to "Structure-Activity Relationship".

Below are MeSH descriptors whose meaning is more specific than "Structure-Activity Relationship".

Structure-Activity Relationship
Quantitative Structure-Activity Relationship

publications

Timeline | Most Recent

This graph shows the total number of publications written about "Structure-Activity Relationship" by people in this website by year, and whether "Structure-Activity Relationship" was a major or minor topic of these publications.

Bar chart showing 262 publications over 30 distinct years, with a maximum of 20 publications in 2004

To see the data from this visualization as text, click here.

Year	Major Topic	Minor Topic	Total
1996	0	12	12
1997	1	10	11
1998	0	7	7
1999	0	3	3
2000	0	8	8
2001	0	9	9
2002	0	10	10
2003	0	10	10
2004	0	20	20
2005	0	9	9
2006	0	16	16
2007	0	13	13
2008	0	14	14
2009	0	8	8
2010	0	10	10
2011	0	12	12
2012	0	10	10
2013	0	13	13
2014	0	13	13
2015	0	5	5
2016	0	8	8
2017	0	11	11
2018	0	1	1
2019	0	11	11
2020	0	4	4
2021	0	5	5
2022	0	1	1
2023	0	1	1
2024	0	6	6
2025	0	1	1

Below are the most recent publications written about "Structure-Activity Relationship" by people in Profiles.

Ye Q, Shvartsbart A, Li Z, Gan P, Policarpo RL, Qi C, Roach JJ, Zhu W, McCammant MS, Hu B, Li G, Yin H, Carlsen P, Hoang G, Zhao L, Susick R, Zhang F, Lai CT, Allali Hassani A, Epling LB, Gallion A, Kurzeja-Lipinski K, Gallagher K, Roman V, Farren MR, Kong W, Deller MC, Zhang G, Covington M, Diamond S, Kim S, Yao W, Sokolsky A, Wang X. Discovery of INCB159020, an Orally Bioavailable KRAS G12D Inhibitor. J Med Chem. 2025 Jan 23; 68(2):1924-1939.

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Naik SD, Kim M, Choi J, Kim G, Woo Kim S, Aswar VR, Tripathi SK, Gaikwad V, Yu J, Shin Jeong L. Exploring C2 and N6 Substituent Effects on Truncated 4'-Thioadenosine Derivatives as Dual A2A and A3 Adenosine Receptor Ligands. ChemMedChem. 2025 Feb 16; 20(4):e202400575.

View in: PubMed
Mondal A, Das B, Karmakar S, Pani S, Khan S, Gupta P, Das Sarma J. Modulatory Role of Pantropic Cell Signaling Pathways in the Antimigratory and Antiproliferative Action of Triazole Chelated Iridium(III) Complexes in Cervical Cancer Cells. J Med Chem. 2024 Nov 28; 67(22):20559-20570.

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Cosentino G, Dichiara M, Ambrosio FA, Leotta CG, Costa G, Procopio F, Costanzo G, Raffa A, Artacho-Cord?n A, Ruiz-Cantero MC, Pasquinucci L, Marrazzo A, Pitari GM, Cobos EJ, Alcaro S, Amata E. Development of selective sigma-1 receptor ligands with antiallodynic activity: A focus on piperidine and piperazine scaffolds. Eur J Med Chem. 2025 Jan 05; 281:117037.

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Kim M, Naik SD, Jarhad DB, Aswar VR, Tripathi SK, Aslam MA, Huh JY, Jeong LS. Stereochemical influence of 4'-methyl substitutions on truncated 4'-thioadenosine derivatives: Impact on A3 adenosine receptor binding and antagonism. Bioorg Chem. 2024 Dec; 153:107901.

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De Vrieze LM, Walton SE, Pottie E, Papsun D, Logan BK, Krotulski AJ, Stove CP, Vandeputte MM. In vitro structure-activity relationships and forensic case series of emerging 2-benzylbenzimidazole 'nitazene' opioids. Arch Toxicol. 2024 09; 98(9):2999-3018.

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Freidel MR, Vakhariya PA, Sardarni SK, Armen RS. The Dual-Targeted Fusion Inhibitor Clofazimine Binds to the S2 Segment of the SARS-CoV-2 Spike Protein. Viruses. 2024 04 20; 16(4).

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Burns JW, Rogers DM. QuantumScents: Quantum-Mechanical Properties for 3.5k Olfactory Molecules. J Chem Inf Model. 2023 12 11; 63(23):7330-7337.

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Feric M, Sarfallah A, Dar F, Temiakov D, Pappu RV, Misteli T. Mesoscale structure-function relationships in mitochondrial transcriptional condensates. Proc Natl Acad Sci U S A. 2022 10 11; 119(41):e2207303119.

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Freidel MR, Armen RS. Modeling the Structure-Activity Relationship of Arbidol Derivatives and Other SARS-CoV-2 Fusion Inhibitors Targeting the S2 Segment of the Spike Protein. J Chem Inf Model. 2021 12 27; 61(12):5906-5922.

View in: PubMed

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