PubChem 2023 update

Gene Ontology: tool for the unification of biology

Ashburner, M., Ball, C. A., Blake, J. A., Botstein, D., Butler, H., Cherry, J. M., Davis, A. P., Dolinski, K., Dwight, S. S., Eppig, J. T., et al. (2000) · Nature Genetics · doi:10.1038/75556 · Cited by 43,206

Database resources of the National Center for Biotechnology Information: update

Wheeler, D. L. (2003) · Nucleic Acids Research · doi:10.1093/nar/gkh073 · Cited by 10,695

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

Weininger, D. (1988) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci00057a005 · Cited by 7,436

UniProt: the universal protein knowledgebase in 2021

The UniProt Consortium, Bateman, A., Martin, M.-J., Orchard, S., Magrane, M., Agivetova, R., Ahmad, S., Alpi, E., Bowler-Barnett, E. H., Britto, R., et al. (2021) · Nucleic Acids Research · doi:10.1093/nar/gkaa1100 · Cited by 6,372

Database resources of the National Center for Biotechnology Information

Agarwala, R., Barrett, T., Beck, J., Benson, D., Bollin, C., Bolton, E. E., Bourexis, D., Brister, J., Bryant, S. H., Canese, K., et al. (2017) · Nucleic Acids Res. · doi:10.1093/nar/gkx1095 · Cited by 6,277

PubChem Substance and Compound databases

Kim, S., Thiessen, P. A., Bolton, E. E., Chen, J., Fu, G., Gindulyte, A., Han, L., He, J., He, S., Shoemaker, B. A., et al. (2016) · Nucleic Acids Research · doi:10.1093/nar/gkv951 · Cited by 5,436

PubChem in 2021: new data content and improved web interfaces

Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., et al. (2021) · Nucleic Acids Research · doi:10.1093/nar/gkaa971 · Cited by 3,953

The Gene Ontology resource: enriching a GOld mine

The Gene Ontology Consortium, Carbon, S., Douglass, E., Good, B. M., Unni, D. R., Harris, N. L., Mungall, C. J., Basu, S., Chisholm, R. L., Dodson, R. J., et al. (2021) · Nucleic Acids Research · doi:10.1093/nar/gkaa1113 · Cited by 3,555

PubChem 2019 update: improved access to chemical data

Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., et al. (2019) · Nucleic Acids Research · doi:10.1093/nar/gky1033 · Cited by 3,249

NCBI Taxonomy: a comprehensive update on curation, resources and tools

Schoch, C. L., Ciufo, S., Domrachev, M., Hotton, C. L., Kannan, S., Khovanskaya, R., Leipe, D., Mcveigh, R., O’Neill, K., Robbertse, B., et al. (2020) · Database · doi:10.1093/database/baaa062 · Cited by 2,635

Prediction of the Extent of Blood–Brain Barrier Transport Using Machine Learning and Integration into the LeiCNS-PK3.0 Model

Gülave, B., van den Maagdenberg, H. W., van Boven, L., van Westen, G. J. P., de Lange, E. C. M., & van Hasselt, J. G. C. (2025) · Pharmaceutical Research · doi:10.1007/s11095-025-03828-0 · Cited by 8

The droplet and atmospheric dispersion drift (DAD-drift) model – A modular approach for estimating spray drift at the landscape scale

Fuchs, M. D., Gebler, S., & Lorke, A. (2025) · Environmental Research · doi:10.1016/j.envres.2025.121104 · Cited by 8

Betulinic Acid Inhibits Glioma Progression by Inducing Ferroptosis Through the PI3K/Akt and NRF2/HO‐1 Pathways

Huang, J., Li, Q., Wang, H., Zhang, S., Zhou, X., Huang, F., Chen, J., Xu, L., & Kang, D. (2025) · The Journal of Gene Medicine · doi:10.1002/jgm.70011 · Cited by 8

In Silico Identification of Potential Clovibactin-like Antibiotics Binding to Unique Cell Wall Precursors in Diverse Gram-Positive Bacterial Strains

Sierra-Hernandez, O., Saurith-Coronell, O., Macías, J. D. R., Márquez, E., Mora, J. R., Paz, J. L., Flores-Sumoza, M., Mendoza, A. M., Flores‐Morales, V., Marrero‐Ponce, Y., et al. (2025) · International Journal of Molecular Sciences · doi:10.3390/ijms26041724 · Cited by 8

Targeting Glucosylceramide Synthase: Innovative Drug Repurposing Strategies for Lysosomal Diseases

Canini, G., Mazzinelli, E., Nocca, G., Lattanzi, W., & Arcovito, A. (2025) · International Journal of Molecular Sciences · doi:10.3390/ijms26052195 · Cited by 8

In silico identification of novel ligands targeting stress-related human FKBP5 protein in mental disorders

Ejiohuo, O., Bajia, D., Pawlak, J., & Szczepankiewicz, A. (2025) · PLoS ONE · doi:10.1371/journal.pone.0320017 · Cited by 9

Inhibitory effects of phytochemicals of spices on human monoamine oxidase B through molecular docking, molecular dynamics simulation, and DFT study

Shrestha, R. L., Neupane, P., Dhital, S., Parajuli, N., Maharjan, B., Shrestha, T., Bharati, S., Marasini, B. P., & Subin, J. A. (2025) · Discover Chemistry. · doi:10.1007/s44371-025-00117-y · Cited by 8

Digitization of molecular complexity with machine learning

Tyrin, A. S., Boiko, D. A., Kolomoets, N. I., & Ananikov, V. P. (2025) · Chemical Science · doi:10.1039/d4sc07320g · Cited by 11

Multi-omic biomarkers associated with multiple sclerosis: from Mendelian randomization to drug prediction

Yang, W. Q., Liu, C., Li, Z., & Cui, M. (2025) · Scientific Reports · doi:10.1038/s41598-025-94303-8 · Cited by 8

Data-Driven Approach Considering Imbalance in Data Sets and Experimental Conditions for Exploration of Photocatalysts

Takahara, W., Baba, R., Harashima, Y., Takayama, T., Takasuka, S., Yamaguchi, Y., Kudo, A., & Fujii, M. (2025) · ACS Omega · doi:10.1021/acsomega.4c06997 · Cited by 9

Computational drug discovery of potential 5α-reductase phytochemical inhibitors and hair growth promotion using in silico techniques

Hasannejad-Asl, B., Pooresmaeil, F., azadi, S., Najafi, A., Esmaeili, A., Bagheri‐Mohammadi, S., & Kazemi, B. (2025) · Frontiers in Bioinformatics · doi:10.3389/fbinf.2025.1570101 · Cited by 8

Understanding the Irreversible Lithium Loss in Silicon Anodes Using Multi-edge X-ray Scattering Analysis

Bertran, M. A. H., Dominguez, D. Z., Berhaut, C. L., Tardif, S., Longo, A., Sahle, C. J., Cavallari, C., Gallerande, E. D. C., Marri, I., Herlin‐Boime, N., et al. (2025) · Chemistry of Materials · doi:10.1021/acs.chemmater.4c03366 · Cited by 10

Phenylacetaldehyde attenuates Cutibacterium acnes-induced inflammation in keratinocytes and monocytes

Lee, H., Kang, W., Ha, Y., Jung, Y., Bin, Y., & Park, T. (2025) · International Immunopharmacology · doi:10.1016/j.intimp.2025.114885 · Cited by 8

TRPM8 Protein Dynamics Correlates with Ligand Structure and Cellular Function

Mebrat, M. D., Luu, D. D., Hilton, J. K., Kim, M., Parrott, K., Cherry, B. R., Levitus, M., Journigan, V. B., & Horn, W. D. V. (2025) · Journal of the American Chemical Society · doi:10.1021/jacs.4c09435 · Cited by 8

Machine Learning Based Quantitative Structure–Dissolution Profile Relationship

Au-Yeung, L., Tseng, C., Tam, Y. K., & Tsai, P. A. (2025) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.5c00197 · Cited by 10

Repurposing drugs for the human dopamine transporter through WHALES descriptors-based virtual screening and bioactivity evaluation

Luo, D., Sha, Z., Mao, J., Liu, J., Zhou, Y., Wu, H., & Xue, W. (2025) · Journal of Pharmaceutical Analysis · doi:10.1016/j.jpha.2025.101368 · Cited by 8

The molecular mechanisms through which psilocybin prevents suicide: evidence from network pharmacology and molecular docking analyses

Zhang, Y., Yang, L., Zhang, Q., Li, C., Mao, F., & Zhuo, C. (2025) · Translational Psychiatry · doi:10.1038/s41398-025-03410-7 · Cited by 9

Study on Synthesis, Antimicrobial Properties, Antioxidant Effects, and Anticancer Activity of New Quinoline Derivatives

Solanki, V., Ibrahim, M., Doshi, A., Das, A. K., Sarvaia, H., Jain, V. D., & Jadeja, Y. S. (2025) · Chemistry & Biodiversity · doi:10.1002/cbdv.202500646 · Cited by 8

Pharmacokinetics and brain tissue distribution of Gastrodia elata extract in normal and cerebral ischemic rats: a comparative study

Shao, J. R., Xu, Q., Luo, Y., Dong, T., Han, X. T., Chen, B., Ying, H., Fang, C., & Shi, Q. (2025) · Frontiers in Pharmacology · doi:10.3389/fphar.2025.1624576 · Cited by 8

Specificities of chemosensory receptors in the human gut microbiota

Xu, W., Jalomo-Khayrova, E., Gumerov, V. M., Ross, P. A., Köbel, T. S., Schindler, D., Bange, G., Zhulin, I. B., & Sourjik, V. (2025) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.2508950122 · Cited by 8

Antidiabetic potential of Mentha piperita essential oil: GC–MS profiling, in vitro, in vivo and in silico analyses

Lanez, E., Bekkar, Y., Bourougaa, L., Benamor, M. L., Bouraoui, R., Boudebia, O., Adaika, A., Nesba, K., Chaoua, H., Bechki, L., et al. (2025) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2025.144239 · Cited by 8

Investigating the potential causal link between BPA and ovarian carcinogenesis: a network toxicology and mendelian randomization study on the CTRC/PRDX1/SKP1 pathway

Shi, Z., Li, Z., & Yang, F. (2025) · Journal of Ovarian Research · doi:10.1186/s13048-025-01814-z · Cited by 8

Large Language Models Meet Molecules: A Systematic Review of Advances and Challenges in AI-Driven Cheminformatics

Umer, M. S., Nabeel, M., Athar, U., Lynch, I., Afantitis, A., Ullah, S., & Fraz, M. M. (2025) · Archives of Computational Methods in Engineering · doi:10.1007/s11831-025-10437-y · Cited by 11

Data curation in cheminformatics: importance and implementation

Esaki, T., & Ikeda, K. (2026) · Journal of Cheminformatics · doi:10.1186/s13321-026-01174-w · Cited by 12

3-Deoxysappanchalcone Inhibits Cell Growth of Gefitinib-Resistant Lung Cancer Cells by Simultaneous Targeting of EGFR and MET Kinases

Lee, J., Lee, S., Kwak, A., Chae, S.-B., Cho, S., Yoon, G., Kim, K.-T., Choi, Y. H., Lee, M., Joo, S. H., et al. (2023) · Biomolecules & Therapeutics · doi:10.4062/biomolther.2023.070 · Cited by 8

Molecular mechanism of Hedyotis Diffusae Herba in the treatment of lupus nephritis based on network pharmacology

Yang, J., & Li, S. (2023) · Frontiers in Pharmacology · doi:10.3389/fphar.2023.1118804 · Cited by 8

Insights into the dynamic interactions of RNase a and osmolytes through computational approaches

Ilyas, A., Poddar, N. K., & Borkotoky, S. (2023) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2023.2229445 · Cited by 8

Molecular Characterization and Mutational Analysis of Clarithromycin- and Levofloxacin-Resistance Genes in Helicobacter pylori from Gastric Biopsies in Southern Croatia

Šamanić, I., Dadic, B., Maršić, Ž. S., Dželalija, M., Maravić, A., Kalinić, H., Cindro, P. V., Šundov, Ž., Tonkić, M., Tonkić, A., et al. (2023) · International Journal of Molecular Sciences · doi:10.3390/ijms241914560 · Cited by 8

Gas phase H + , H 3 O + and NH 4 + affinities of oxygen-bearing volatile organic compounds; DFT calculations for soft chemical ionisation mass spectrometry

Gnioua, M. O., Spesyvyi, A., & Španěl, P. (2023) · Physical Chemistry Chemical Physics · doi:10.1039/d3cp03604a · Cited by 8

In silico investigation of Komaroviquinone as a potential inhibitor of SARS-CoV-2 main protease (Mpro): Molecular docking, molecular dynamics, and QM/MM approaches

dos Santos, S. J. M., & Valentini, A. (2023) · Journal of Molecular Graphics and Modelling · doi:10.1016/j.jmgm.2023.108662 · Cited by 8

Unraveling biomarkers of exposure for tenuazonic acid through urinary metabolomics

Visintin, L., García-Nicolás, M., Vangeenderhuysen, P., Goessens, T., Alladio, E., Pomian, B., Vanhaecke, L., Saeger, S. D., & Boevre, M. D. (2023) · Food and Chemical Toxicology · doi:10.1016/j.fct.2023.114183 · Cited by 8

Network pharmacology and bioinformatics based investigation of Phyllanthus fraternus : herb-drug interaction study

Das, J., Somabattini, R. A., Chhabra, N., Roy, P. P., Islam, R., Dhaked, D. K., & Nanjappan, S. K. (2023) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2023.2291167 · Cited by 8

Identification of Novel EGFR Inhibitors for the Targeted Therapy of Colorectal Cancer Using Pharmacophore Modelling, Docking, Molecular Dynamic Simulation and Biological Activity Prediction

Amrutha Krishnan, K., Valavi, S. G., & Joy, A. (2024) · Anti-Cancer Agents in Medicinal Chemistry · doi:10.2174/0118715206275566231206094645 · Cited by 8

Hacking decarbonization with a community-operated CreatorSpace

Kondinski, A., Mosbach, S., Akroyd, J., Breeson, A. C., Tan, Y. R., Rihm, S. D., Bai, J., & Kraft, M. (2024) · Chem · doi:10.1016/j.chempr.2023.12.018 · Cited by 9

An ensemble‐based approach to estimate confidence of predicted protein–ligand binding affinity values

Rayka, M., Mirzaei, M., & Latifi, A. M. (2024) · Molecular Informatics · doi:10.1002/minf.202300292 · Cited by 8

The metabolic profiles of Eugenia astringens and E. uniflora (Myrtaceae) sensitive seeds affect desiccation

Rodrigues, G. A. G., Mauve, C., Gakière, B., Bailly, C., & Steiner, N. (2024) · Physiologia Plantarum · doi:10.1111/ppl.14220 · Cited by 8

The first report on the assessment of maximum acceptable daily intake (MADI) of pesticides for humans using intelligent consensus predictions

Kumar, A., Ojha, P. K., & Roy, K. (2024) · Environmental Science Processes & Impacts · doi:10.1039/d4em00059e · Cited by 8

Protective effect of quercetin on lipopolysaccharide‑induced miscarriage based on animal experiments and network pharmacology

Wu, S., Tian, Y., Zhang, Q., Fu, Z., Lan, H., Zhou, X., Ma, L., & Lou, Y. (2024) · Molecular Medicine Reports · doi:10.3892/mmr.2024.13223 · Cited by 8

Molecular Dynamic Simulation To Reveal the Mechanism Underlying MGL-3196 Resistance to Thyroxine Receptor Beta

Lu, Y., Chen, C., Zhuang, D., & Liling, Q. (2024) · ACS Omega · doi:10.1021/acsomega.4c00089 · Cited by 8

Integrating single‐cell and multi‐omic approaches reveals Euphorbiae Humifusae Herba‐dependent mitochondrial dysfunction in non‐small‐cell lung cancer

Zhang, C., Zhao, X., Li, F., Qin, J., Yang, L., Yin, Q., Liu, Y., Zhu, Z., Zhang, F., Wang, Z., et al. (2024) · Journal of Cellular and Molecular Medicine · doi:10.1111/jcmm.18317 · Cited by 8

Quercetin derivatives as potential inhibitors of Nipah virus phosphoprotein through in silico drug design approaches

Ariche, B., Kundu, N., Munia, A. A., Chakrabarty, B., Utpal, B. K., Kumar, N., Vijay, D., Bourhia, M., Jardan, Y. A. B., Guendouzi, A., et al. (2024) · Journal of the Indian Chemical Society · doi:10.1016/j.jics.2024.101196 · Cited by 8

Toward high-resolution modeling of small molecule–ion channel interactions

Harris, B. J., Nguyen, P. T., Zhou, G., Wulff, H., DiMaio, F., & Yarov-Yarovoy, V. M. (2024) · Frontiers in Pharmacology · doi:10.3389/fphar.2024.1411428 · Cited by 8

Molecular sharing and molecular-specific representations for multimodal molecular property prediction

Tian, X., Zhang, S., Su, Y., Huang, W., Zhang, Y., Ma, X., Li, K., Lv, X., Chen, C., & Chen, C. (2024) · Applied Soft Computing · doi:10.1016/j.asoc.2024.111898 · Cited by 10

Selected phytochemicals as potent acetylcholinesterase inhibitors: An in silico prediction

Shrestha, R. L., Neupane, P., Dhital, S., Parajuli, N., Maharjan, B., Shrestha, T., Bharati, S., Marasini, B. P., & Subin, J. A. (2024) · Journal of the Serbian Chemical Society · doi:10.2298/jsc240405065s · Cited by 8

The HuMet Repository: Watching human metabolism at work

Weinisch, P., Raffler, J., Römisch‐Margl, W., Arnold, M., Mohney, R. P., Rist, M. J., Prehn, C. P., Skurk, T., Hauner, H., Daniel, H., et al. (2024) · Cell Reports · doi:10.1016/j.celrep.2024.114416 · Cited by 8

An algae-based polymer material as a pesticide adjuvant for mitigating off-target drift

Kannan, N., Read, Q. D., & Zhang, W. (2024) · Heliyon · doi:10.1016/j.heliyon.2024.e35510 · Cited by 8

Chemical Isotope Labeling and Dual-Filtering Strategy for Comprehensive Profiling of Urinary Glucuronide Conjugates

Chen, Z., Yang, R., Zhu, C.-W., Li, Y., Yan, R., & Wan, J. (2024) · Analytical Chemistry · doi:10.1021/acs.analchem.4c02339 · Cited by 8

Network pharmacology- and molecular docking-based investigation on the mechanism of action of Si-ni San in the treatment of depression combined with anxiety and experimental verification in adolescent rats

Li, Z., Liang, S., Cui, X., Shen, C., Xu, Z., Chen, W. J., Wu, M., Liang, C., Liu, J., Huang, J., et al. (2024) · Frontiers in Psychiatry · doi:10.3389/fpsyt.2024.1414242 · Cited by 8

Network Pharmacology Revealing the Therapeutic Potential of Bioactive Components of Triphala and Their Molecular Mechanisms against Obesity

Inpan, R., Sakuludomkan, W., Takuathung, M. N., & Koonrungsesomboon, N. (2024) · International Journal of Molecular Sciences · doi:10.3390/ijms251910755 · Cited by 8

Structure based interaction and molecular dynamics studies of cysteine protease Cathepsin B against curcumin and resveratrol

Nandhini, M., Mary, C. P. V., Gopinath, S., & Vijayakumar, S. (2024) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2024.2431658 · Cited by 8

Instruction multi-constraint molecular generation using a teacher-student large language model

Zhou, P., Wang, J., Li, C., Wang, Z., Liu, Y., Sun, S., Lin, J., Wei, L., Lai, H., Lai, H., et al. (2025) · BMC Biology · doi:10.1186/s12915-025-02200-3 · Cited by 10

Design and development of novel potential inhibitors of the human USP21 enzyme using a pharmacophore‐based virtual screening technique

Roy, A., Luharuka, S., Paul, I., & Ray, S. (2023) · Journal of Molecular Recognition · doi:10.1002/jmr.3023 · Cited by 8

Identification of the active ingredients and pharmacological effects of Kuntai capsules in the treatment of primary ovarian insufficiency: A review

Liu, F., & Sun, Y. (2023) · Medicine · doi:10.1097/md.0000000000033884 · Cited by 8

Dual research on the quality and efficacy of antiviral oral liquid based on fingerprint techniques and chemometric analysis combined with network pharmacology

Fan, J., Lü, C., Zhang, Q., Sun, G., & Sun, W. (2023) · Microchemical Journal · doi:10.1016/j.microc.2023.109372 · Cited by 8

A structure-oriented kinetics dataset of enzyme-substrate interactions

Krishnan, S. R., Pandey, N., Srinivasan, R., & Roy, A. (2025) · Scientific Data · doi:10.1038/s41597-025-05829-5 · Cited by 8

Pathophysiology, Current Therapeutic Options, Vaccine Candidates, and Drug Targets for Human Brucellosis

Pritam, M., & Kumar, R. (2023) · Current Molecular Pharmacology · doi:10.2174/1874467217666230713093802 · Cited by 7

The use of beta-sitosterol for the treatment of prostate cancer and benign prostatic hyperplasia.

Macoska, J. A. (2023) · PubMed Central · Cited by 7

Carnosol ameliorated cancer cachexia-associated myotube atrophy by targeting P5CS and its downstream pathways

Fang, Q., Wang, Y., Zhang, R.-Q., Fan, M., Feng, L., Guo, X., Cheng, C., Zhang, X., & Liu, X. (2024) · Frontiers in Pharmacology · doi:10.3389/fphar.2023.1291194 · Cited by 7

Screening the critical protein subnetwork to delineate potential mechanisms and protective agents associated with arsenic-induced cutaneous squamous cell carcinoma: A toxicogenomic study

Koushki, M., Dashatan, N. A., Rezaei–Tavirani, M., ROBATI, R. M., Fateminasab, F., Rahimi, S., Razzaghi, Z., & Farahani, M. (2024) · Food and Chemical Toxicology · doi:10.1016/j.fct.2024.114451 · Cited by 7

In silico screening of phytoconstituents as potential anti-inflammatory agents targeting NF-κB p65: an approach to promote burn wound healing

Pattnaik, S., Murmu, S., Rath, B. P., Singh, M. K., Kumar, S., & Mohanty, C. (2024) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2024.2306199 · Cited by 7

Inhibition of NS2B-NS3 protease from all four serotypes of dengue virus by punicalagin, punicalin and ellagic acid identified from Punica granatum

Ismat, F., Tariq, A., Shaheen, A., Ullah, R., Raheem, K. Y., Muddassar, M., Mahboob, S., Abbas, W., Iqbal, M., & Rahman, M. (2024) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2024.2314258 · Cited by 7

Comparison of Approaches for Authentication of Commercial Terpinen-4-ol-type Tea Tree Oils Using Chiral GC/MS

Linge, K. L., Cooper, L., & Downey, A. (2024) · Journal of Agricultural and Food Chemistry · doi:10.1021/acs.jafc.3c08140 · Cited by 7

Identification of volatile and odor‐active compounds in pea protein fractions obtained by a modified extraction method using fermentation

Emkani, M., Gourrat, K., Oliete, B., & Saurel, R. (2024) · Journal of Food Science · doi:10.1111/1750-3841.17145 · Cited by 8

Combining chemical profiles and biological abilities of different extracts from Tanacetum nitens ( Boiss. & Noë ) Grierson using network pharmacology

Dall’Acqua, S., Yagi, S. M. A., Sut, S., Uba, A. İ., Ponniya, S. K. M., Koyuncu, İ., Toprak, K., Balos, M. M., Kaplan, A., Çakılcıoğlu, U., et al. (2024) · Archiv der Pharmazie · doi:10.1002/ardp.202400194 · Cited by 7

PubChem synonym filtering process using crowdsourcing

Kim, S., Yu, B., Li, Q., & Bolton, E. (2024) · Journal of Cheminformatics · doi:10.1186/s13321-024-00868-3 · Cited by 7

Uncovering the anti-breast cancer activity potential of east Kalimantan propolis by In vitro and bioinformatics analysis

Kustiawan, P. M., Siregar, K. A. A. K., Syaifie, P. H., Muttaqin, F. Z., Ibadillah, D., Jauhar, M. M., Djamas, N., Mardliyati, E., & Rochman, N. T. (2024) · Heliyon · doi:10.1016/j.heliyon.2024.e33636 · Cited by 7

Site specific binding pattern of benzodiazepines with GABAA receptor and related impact on their activities in the human body: An in silico method based study

Roy, M. S., Sarkar, B. K., & Kundu, S. K. (2024) · Heliyon · doi:10.1016/j.heliyon.2024.e33929 · Cited by 7

Development of an effective meropenem/KPC-2 inhibitor combination to combat infections caused by carbapenem-resistant Klebsiella pneumoniae

Tang, Y., Yang, C., Liu, C., Xu, Y., Peng, M., Chan, E. W., & Chen, S. (2024) · International Journal of Antimicrobial Agents · doi:10.1016/j.ijantimicag.2024.107268 · Cited by 7

Tailoring Phage Nanosomes for Enhanced Theranostic Properties of Near Infrared Dyes

Sankaranarayanan, S. A., Yadav, D. N., Yadav, S., Srivastava, A., Pramatha, S. R., Kotagiri, V. R., Joshi, H., & Rengan, A. K. (2024) · Langmuir · doi:10.1021/acs.langmuir.4c01010 · Cited by 7

In silico molecular screening of bioactive natural compounds of rosemary essential oil and extracts for pharmacological potentials against rhinoviruses

Singh, D., Mittal, N., Mittal, P., Tiwari, N. K., Khan, S.-U.-D., Ali, M. A. M., Chaudhary, A. A., & Siddiqui, M. H. (2024) · Scientific Reports · doi:10.1038/s41598-024-68450-3 · Cited by 7

In Vitro Evaluation of the Combinatorial Effect of Naringenin and Miltefosine against Leishmania amazonensis

Lessa, V. L., Gonçalves, G., Santos, B., Cavalari, V. C., Vieira, R. F. D. C., & Figueiredo, F. B. (2024) · Pharmaceuticals · doi:10.3390/ph17081014 · Cited by 7

In silico studies of benzothiazole derivatives as potential inhibitors of Anopheles funestus and Anopheles gambiae trehalase

Ogunnupebi, T. A., Oduselu, G. O., Elebiju, O. F., Ajani, O. O., & Adebiyi, E. F. (2024) · Frontiers in Bioinformatics · doi:10.3389/fbinf.2024.1428539 · Cited by 7

Kinase Drug Discovery: Impact of Open Science and Artificial Intelligence

Miljković, F. N., & Bajorath, J. (2024) · Molecular Pharmaceutics · doi:10.1021/acs.molpharmaceut.4c00659 · Cited by 8

Unraveling Cordia myxa’s anti-malarial potential: integrative insights from network pharmacology, molecular modeling, and machine learning

Miao, Y., Liu, W., Alsallameh, S. M. S., Albekairi, N. A., Muhseen, Z. T., & Butch, C. J. (2024) · BMC Infectious Diseases · doi:10.1186/s12879-024-10078-9 · Cited by 7

Brazilian red propolis reduces the adhesion of oral biofilm cells and the Toxoplasma gondii intracellular proliferation

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