Multi-Targeted Natural Products Evaluation Based on Biological Activity Prediction with PASS

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Discriminating between Drugs and Nondrugs by Prediction of Activity Spectra for Substances (PASS)

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Cyclobutane-Containing Alkaloids: Origin, Synthesis, and Biological Activities

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Prediction of Biological Activity Spectra via The Internet

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Essential oil composition and variability of Hypericum perforatum L. growing in Lithuania

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PASS: Prediction of Biological Activity Spectra for Substances

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Acetylenic Aquatic Anticancer Agents and Related Compounds

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Hypericum Perforatum - St. John's Wort Chemical, Pharmacological and Clinical Aspects

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Revealing the macromolecular targets of complex natural products

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DIGEP-Pred: web service for in silico prediction of drug-induced gene expression profiles based on structural formula

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Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review

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Pentacyclic Triterpenoids Inhibit IKKβ Mediated Activation of NF-κB Pathway: In Silico and In Vitro Evidences

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Revealing the Macromolecular Targets of Fragment‐Like Natural Products

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Anticancer and antimicrobial activity of new copper (II) complexes

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Identification of plant-derived natural products as potential inhibitors of the Mycobacterium tuberculosis proteasome

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Identification of Potential Inhibitors from Pyriproxyfen with Insecticidal Activity by Virtual Screening

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3D pharmacophores as tools for activity profiling

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Current computational methods for predicting protein interactions of natural products

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Ginsenoside F2 possesses anti-obesity activity via binding with PPARγ and inhibiting adipocyte differentiation in the 3T3-L1 cell line

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Metabolism Site Prediction Based on Xenobiotic Structural Formulas and PASS Prediction Algorithm

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Evaluation of pyrazolopyrimidine derivatives as microtubule affinity regulating kinase 4 inhibitors: Towards therapeutic management of Alzheimer’s disease

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Inhibition of IKKβ by celastrol and its analogues – an in silico and in vitro approach

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Harnessing the potential of natural products in drug discovery from a cheminformatics vantage point

Rodrigues, T. (2017) · Organic & Biomolecular Chemistry · doi:10.1039/c7ob02193c · Cited by 38 · see citing works

Structural investigation of ginsenoside Rf with PPARγ major transcriptional factor of adipogenesis and its impact on adipocyte

Siraj, F. M., Natarajan, S., Huq, M. A., Kim, Y. J., & Yang, D. (2014) · Journal of Ginseng Research · doi:10.1016/j.jgr.2014.10.002 · Cited by 36 · see citing works

Advanced Strategies in Enhancing the Hepatoprotective Efficacy of Natural Products: Integrating Nanotechnology, Genomics, and Mechanistic Insights

Patel, J., Roy, H., Chintamaneni, P. K., Patel, R., & Bohara, R. A. (2025) · ACS Biomaterials Science & Engineering · doi:10.1021/acsbiomaterials.5c00004 · Cited by 35 · see citing works

Coptisine Alleviates Imiquimod-Induced Psoriasis-like Skin Lesions and Anxiety-like Behavior in Mice

Nguyen, L. T. H., Choi, M.-J., Shin, H., & Yang, I. (2022) · Molecules · doi:10.3390/molecules27041412 · Cited by 35 · see citing works

Revealing pharmacodynamics of medicinal plants using in silico approach: A case study with wet lab validation

Singh, D., Gawande, D. Y., Singh, T., Poroikov, V., & Goel, R. K. (2014) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2014.01.003 · Cited by 34 · see citing works

Computer-aided discovery of biological activity spectra for anti-aging and anti-cancer olive oil oleuropeins

Corominas-Faja, B., Santangelo, E., Cuyàs, E., Micol, V., Joven, J., Ariza, X., Segura‐Carretero, A., García, J., & Menéndez, J. A. (2014) · Aging · doi:10.18632/aging.100691 · Cited by 34 · see citing works

Combined network pharmacology and virtual reverse pharmacology approaches for identification of potential targets to treat vascular dementia

Lagunin, A. A., Ivanov, S. M., Gloriozova, T. A., Pogodin, P. V., Filimonov, D. A., Kumar, S., & Goel, R. K. (2020) · Scientific Reports · doi:10.1038/s41598-019-57199-9 · Cited by 34 · see citing works

Designing and synthesis of novel antimicrobial heterocyclic analogs of fatty acids

Ahmad, A., Ahmad, A., Varshney, H., Rauf, A., Rehan, M., Subbarao, N., & Khan, A. U. (2013) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2013.10.051 · Cited by 32 · see citing works

Validation of microarray data in human lymphoblasts shows a role of the ubiquitin-proteasome system and NF-kB in the pathogenesis of Down syndrome

Granese, B., Scala, I., Spatuzza, C., Valentino, A., Coletta, M., Vacca, R. A., Luca, P. D., & Andria, G. (2013) · BMC Medical Genomics · doi:10.1186/1755-8794-6-24 · Cited by 32 · see citing works

Synthesis, antimalarial activity, and target binding of dibenzazepine-tethered isoxazolines

Kumar, K. S. V., Lingaraju, G. S., Bommegowda, Y. K., Vinayaka, A. C., Bhat, P., Kumara, C. S. P., Rangappa, K. S., Gowda, D. C., & Sadashiva, M. P. (2015) · RSC Advances · doi:10.1039/c5ra17926b · Cited by 31 · see citing works

Aquaculture Drugs: Sources, Active Ingredients, Pharmaceutic Preparations and Methods of Administration

Kumar, V., & Roy, S. (2017) · Journal of Aquaculture Research & Development · doi:10.4172/2155-9546.1000510 · Cited by 31 · see citing works

Solanopubamine, a rare steroidal alkaloid from Solanum schimperianum: Synthesis of some new alkyl and acyl derivatives, their anticancer and antimicrobial evaluation

Al‐Rehaily, A. J., Ahmad, M. S., Mustafa, J. S., Al-Oqail, M. M., Hassan, W., Khan, S. I., & Khan, I. A. (2011) · Journal of Saudi Chemical Society · doi:10.1016/j.jscs.2011.10.003 · Cited by 29 · see citing works

Diversity of the Chemical Profile and Biological Activity of Capsicum annuum L. Extracts in Relation to Their Lipophilicity

Chilczuk, B., Marciniak, B., Kontek, R., & Materska, M. (2021) · Molecules · doi:10.3390/molecules26175215 · Cited by 29 · see citing works

Expatiating biological excellence of aminoantipyrine derived novel metal complexes: Combined DNA interaction, antimicrobial, free radical scavenging studies and molecular docking simulations

Fathima, S. S. A., Paulpandiyan, R., & Nagarajan, E. R. (2018) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2018.10.021 · Cited by 27 · see citing works

Cytotoxicity Activity and Druggability Studies of Sigmasterol Isolated from Marine Sponge Dysidea avara Against Oral Epithelial Cancer Cell (KB/C152) and T-Lymphocytic Leukemia Cell Line (Jurkat/ E6-1)

Nazemi, M., Khaledi, M., Golshan, M., Ghorbani, M., Amiran, M. R., Darvishi, A., & Rahmanian, O. (2020) · Asian Pacific Journal of Cancer Prevention · doi:10.31557/apjcp.2020.21.4.997 · Cited by 27 · see citing works

Betulonic acid—cyclodextrins inclusion complexes

Sbârcea, L., Ledeţi, A., Udrescu, L., Văruţ, R.-M., Barvinschi, P., Vlase, G., & Ledeţi, I. (2019) · Journal of Thermal Analysis and Calorimetry · doi:10.1007/s10973-019-08359-6 · Cited by 26 · see citing works

In vitro and in silico studies on the anticancer and apoptosis-inducing activities of the sterols identified from the soft coral, subergorgia reticulata

Nair, S., Kumar, N., Byju, K., Anuradha, V., & Vasundhara, G. (2014) · Pharmacognosy Magazine · doi:10.4103/0973-1296.127345 · Cited by 26 · see citing works

Designing, synthesis, and antimicrobial action of oxazoline and thiazoline derivatives of fatty acid esters

Ahmad, A., Ahmad, A., Sudhakar, R., Varshney, H., Subbarao, N., Ansari, S., Rauf, A., & Khan, A. U. (2016) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2016.1255260 · Cited by 24 · see citing works

Discovery and Development of Lead Compounds from Natural Sources Using Computational Approaches

Medina‐Franco, J. L. (2015) · Elsevier eBooks · doi:10.1016/b978-0-12-800874-4.00021-0 · Cited by 24 · see citing works

Consensus Drug Design Using IT Microcosm

Vassiliev, P. M., Спасов, А. А., Косолапов, В. А., Kucheryavenko, A. F., Гурова, Н. А., & Анисимова, В. А. (2014) · Challenges and advances in computational chemistry and physics · doi:10.1007/978-94-017-9257-8_12 · Cited by 23 · see citing works

Identification of potential lead compounds against BACE1 through in-silico screening of phytochemicals of Medhya rasayana plants for Alzheimer's disease management

Nadh, A. G., Revikumar, A., Sudhakaran, P. R., & Nair, A. S. (2022) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2022.105422 · Cited by 22 · see citing works

Antihypoxic Action of Panax Japonicus, Tribulus Terrestris and Dioscorea Deltoidea Cell Cultures: In Silico and Animal Studies

Lagunin, A. A., Povydysh, M. N., Ivkin, D. Y., Luzhanin, V. G., Krasnova, M. V., Оковитый, С. В., Nosov, A. M., Титова, М. В., Томилова, С. В., Filimonov, D. A., et al. (2020) · Molecular Informatics · doi:10.1002/minf.202000093 · Cited by 22 · see citing works

Synthesis, evaluation and docking studies on steroidal pyrazolones as anticancer and antimicrobial agents

Shamsuzzaman, Mashrai, A., Ahmad, A., Dar, A. M., Khanam, H., Danishuddin, M., & Khan, A. U. (2013) · Medicinal Chemistry Research · doi:10.1007/s00044-013-0636-y · Cited by 22 · see citing works

Computational de-orphanization of the olive oil biophenol oleacein: Discovery of new metabolic and epigenetic targets

Cuyàs, E., Castillo, D., Llorach-Parés, L., Lozano‐Sánchez, J., Verdura, S., Nonell‐Canals, A., Brunet, J., Bosch‐Barrera, J., Joven, J., Valdés, R., et al. (2019) · Food and Chemical Toxicology · doi:10.1016/j.fct.2019.05.037 · Cited by 22 · see citing works

Revealing the Macromolecular Targets of Fragment‐Like Natural Products

Rodrigues, T., Reker, D., Kunze, J., Schneider, P., & Schneider, G. (2015) · Angewandte Chemie · doi:10.1002/ange.201504241 · Cited by 21 · see citing works

Targeting allosteric binding site in methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) to identify natural product inhibitors via structure-based computational approach

Rana, N., Patel, D., Parmar, M., Mukherjee, N., Jha, P. C., & Manhas, A. (2023) · Scientific Reports · doi:10.1038/s41598-023-45175-3 · Cited by 21 · see citing works

Pharmacological repositioning of Achyranthes aspera as an antidepressant using pharmacoinformatic tools PASS and PharmaExpert: a case study with wet lab validation

Goel, R. K., Gawande, D. Y., Lagunin, A. A., & Poroikov, V. (2017) · SAR and QSAR in environmental research · doi:10.1080/1062936x.2017.1408683 · Cited by 21 · see citing works

Molecular Docking Approach of Bryophyllum Pinnatum Compounds as Atherosclerosis Therapy By Targeting Adenosine Monophosphate-Activated Protein Kinase and Inducible Nitric Oxide Synthase

Yuniwati, Y., Syaban, M. F. R., Anoraga, S. G., & Sabila, F. L. (2022) · Acta Informatica Medica · doi:10.5455/aim.2022.30.91-95 · Cited by 21 · see citing works

Exploration of the Antimicrobial Effects of Benzothiazolylthiazolidin-4-One and In Silico Mechanistic Investigation

Haroun, M., Tratrat, C., Petrou, A., Geronikaki, A. A., Ivanov, M., Ćirić, A., Sokóvić, M., Sreeharsha, N., Venugopala, K. N., Nair, A. B., et al. (2021) · Molecules · doi:10.3390/molecules26134061 · Cited by 20 · see citing works

An efficient and convenient microwave-assisted chemical synthesis of (thio)xanthones with additional in vitro and in silico characterization

Verbanac, D., Jain, S. C., Jain, N., Chand, M., Paljetak, H. Č., Matijašić, M., Perić, M., Stepanić, V., & Saso, L. (2012) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2012.03.074 · Cited by 20 · see citing works

Systematic Analysis and Prediction of the Target Space of Bioactive Food Compounds: Filling the Chemobiological Gaps

Sánchez-Ruiz, A., & Colmenarejo, G. (2022) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.2c00888 · Cited by 19 · see citing works

In silico evaluation of anti-colorectal cancer inhibitors by Resveratrol derivatives targeting Armadillo repeats domain of APC: molecular docking and molecular dynamics simulation

Akash, S., Islam, M. R., Bhuiyan, A. A., Islam, M. N., Bayıl, İ., Saleem, R. M., Albadrani, G. M., Al‐Ghadi, M. Q., & Abdel‐Daim, M. M. (2024) · Frontiers in Oncology · doi:10.3389/fonc.2024.1360745 · Cited by 19 · see citing works

Novel Antioxidant, Deethylated Ethoxyquin, Protects against Carbon Tetrachloride Induced Hepatotoxicity in Rats by Inhibiting NLRP3 Inflammasome Activation and Apoptosis

Iskusnykh, I. Y., Крыльский, Е. Д., Brazhnikova, D. A., Попова, Т. Н., Shikhaliev, K. S., Shulgin, K. K., Matasova, L. V., Popov, S. S., Zhaglin, D. A., Zakharova, A. A., et al. (2021) · Antioxidants · doi:10.3390/antiox10010122 · Cited by 19 · see citing works

Molecular Docking Analysis of Ficus religiosa Active Compound with Anti-Inflammatory Activity by Targeting Tumour Necrosis Factor Alpha and Vascular Endothelial Growth Factor Receptor in Diabetic Wound Healing

Yueniwati, Y., Syaban, M. F. R., Erwan, N. E., Putra, G. F. A., & Krisnayana, A. D. (2021) · Open Access Macedonian Journal of Medical Sciences · doi:10.3889/oamjms.2021.7068 · Cited by 19 · see citing works

Synthesis and chemoinformatics analysis of N-aryl-β-alanine derivatives

Anusevičius, K., Mickevičius, V., Stasevych, M., Zvarych, V. I., Komarovska-Porokhnyavets, O. Z., Novikov, V. P., Tarasova, O. A., Gloriozova, T. A., & Poroikov, V. (2014) · Research on Chemical Intermediates · doi:10.1007/s11164-014-1841-0 · Cited by 18 · see citing works

Synthesis, fungal biotransformation, and evaluation of the antimicrobial potential of chalcones with a chlorine atom

Krawczyk-Łebek, A., Żarowska, B., Dymarska, M., Janeczko, T., & Kostrzewa-Susłow, E. (2024) · Scientific Reports · doi:10.1038/s41598-024-65054-9 · Cited by 17 · see citing works

Identification of Drug-Induced Myocardial Infarction-Related Protein Targets through the Prediction of Drug–Target Interactions and Analysis of Biological Processes

Ivanov, S. M., Lagunin, A. A., Pogodin, P. V., Filimonov, D. A., & Poroikov, V. (2014) · Chemical Research in Toxicology · doi:10.1021/tx500147d · Cited by 17 · see citing works

Systems psychopharmacology: A network approach to developing novel therapies

Gebicke‐Haerter, P. J. (2016) · World Journal of Psychiatry · doi:10.5498/wjp.v6.i1.66 · Cited by 16 · see citing works

Natural products used as a chemical library for protein–protein interaction targeted drug discovery

Jin, X., Lee, K., Kim, N. H., Kim, H. S., Yook, J. I., Choi, J., & No, K. T. (2017) · Journal of Molecular Graphics and Modelling · doi:10.1016/j.jmgm.2017.10.015 · Cited by 16 · see citing works

Computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional indian ayurvedic medicine

Lagunin, A. A., Druzhilovskiy, D. S., Rudik, A. V., Filimonov, D. A., Gawande, D. Y., Suresh, K., Goel, R. K., & Poroikov, V. (2015) · Biomeditsinskaya Khimiya · doi:10.18097/pbmc20156102286 · Cited by 15 · see citing works

Potential synergistic effects of quercetin with other phytoconstituents of Costus pictus (insulin plant) extract in the control of hyperglycemia and prevention of NSAID-induced gastroenteropathy in diabetic rats

Borse, S., Singh, D. P., Upadhyay, D., & Nivsarkar, M. (2018) · Food and Chemical Toxicology · doi:10.1016/j.fct.2018.07.036 · Cited by 15 · see citing works

Identification of Drug Targets Related to the Induction of Ventricular Tachyarrhythmia Through a Systems Chemical Biology Approach

Ivanov, S. M., Lagunin, A. A., Pogodin, P. V., Filimonov, D. A., & Poroikov, V. (2015) · Toxicological Sciences · doi:10.1093/toxsci/kfv054 · Cited by 14 · see citing works

Discovery of some novel imines of 2-amino, 5-thio, 1,3,4-thiadiazole as mucomembranous protector. Synthesis, anti-oxidant activity and in silico PASS approach

Mathew, B., Suresh, J., Anbazhagan, S., & Chidambaranathan, N. (2013) · Journal of Saudi Chemical Society · doi:10.1016/j.jscs.2013.01.002 · Cited by 14 · see citing works

Reactions of N3‐Substituted Amidrazones with cis‐1,2‐Cyclohexanedicarboxylic Anhydride and Biological Activities of the Products

Modzelewska‐Banachiewicz, B., Ucherek, M., Zimecki, M., Kutkowska, J., Kamińska, T., MORAK-MŁODAWSKA, B. I., Paprocka, R., Szulc, M., Lewandowski, G., Marciniak, J., et al. (2012) · Archiv der Pharmazie · doi:10.1002/ardp.201100333 · Cited by 14 · see citing works

Identifying the alpha-glucosidase inhibitory potential of dietary phytochemicals against diabetes mellitus type 2 via molecular interactions and dynamics simulation

Kausar, M. A., Shahid, S., Anwar, S., Kuddus, M., Khan, M. K. A., Khalifa, A. M., Khatoon, F., Alotaibi, A. D., Alkhodairy, S. F., Snoussi, M., et al. (2022) · Cellular and Molecular Biology · doi:10.14715/cmb/2021.67.5.3 · Cited by 13 · see citing works

In silico evaluation of apoptogenic potential and toxicological profile of triterpenoids

Desai, T., & Joshi, S. V. (2019) · Indian Journal of Pharmacology · doi:10.4103/ijp.ijp_90_18 · Cited by 13 · see citing works

In silicoscreening of ginsenoside Rh1 with PPARγ andin vitroanalysis on 3T3-L1 cell line

Siraj, F. M., Natarajan, S., Kim, Y. J., & Yang, D. (2014) · Molecular Simulation · doi:10.1080/08927022.2014.970188 · Cited by 13 · see citing works

Computer Evaluation of Drug Interactions with P-Glycoprotein

Lagunin, A. A., Gloriozova, T. A., Dmitriev, A. V., Volgina, N. E., & Poroikov, V. (2013) · Bulletin of Experimental Biology and Medicine · doi:10.1007/s10517-013-1992-9 · Cited by 12 · see citing works

Synthesis and SAR Study of Novel Amidino 2-substituted Benzimidazoles as Potential Antibacterial Agents

Perin, N., Starčević, K., Perić, M., Paljetak, H. Č., Matijašić, M., Stepanić, V., Verbanac, D., Karminski-Zamola, G. M., & Hranjec, M. (2017) · Croatica Chemica Acta · doi:10.5562/cca3147 · Cited by 12 · see citing works

Withania somnifera Regulates Mitochondrial Biogenesis and Energetics in Rat Cortical Neurons: Role of BDNF and SIRT1

Fanibunda, S. E., Kukkemane, K., Ghai, U., Kolthur‐Seetharam, U., Hingorani, L., Vaidya, A. D. B., & Vaidya, V. A. (2025) · Molecular Neurobiology · doi:10.1007/s12035-025-04920-7 · Cited by 11 · see citing works

Towards Novel Potential Molecular Targets for Antidepressant and Antipsychotic Pharmacotherapies

Kositsyn, Y. M., de Abreu, M. S., Kolesnikova, T. O., Lagunin, A. A., Poroikov, V., Harutyunyan, H. S., Yenkoyan, K. B., & Kalueff, A. V. (2023) · International Journal of Molecular Sciences · doi:10.3390/ijms24119482 · Cited by 11 · see citing works

Acetylenic derivatives of betulonic acid amide as a new type of compounds possessing spasmolytic activity

Govdi, A. I., Sorokina, I. V., Baev, D. S., Bryzgalov, A. O., Tolstikova, T. G., Толстиков, Г. А., & Vasilevsky, S. F. (2015) · Russian Chemical Bulletin · doi:10.1007/s11172-015-1013-4 · Cited by 11 · see citing works

Apigenin-mediated MARK4 inhibition: a novel approach in advancing Alzheimer’s disease therapeutics

Hussain, A., Jairajpuri, D. S., Anwar, S., Choudhury, A., Hawwal, M. F., Firdous, A., Alajmi, M. F., & Hassan, M. I. (2025) · Molecular Diversity · doi:10.1007/s11030-025-11104-x · Cited by 10 · see citing works

GRIND2-based 3D-QSAR and prediction of activity spectra for symmetrical bis-pyridinium salts with promastigote antileishmanial activity

Diniz, E. M. L. P., da Silva, C. H. T. D. P., Gómez‐Pérez, V., Federico, L. B., & Rosa, J. M. C. (2016) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2016.1221364 · Cited by 10 · see citing works

Synthesis, structural, pharmacological and molecular docking simulations studies of Schiff base transition metal complexes procured from acetylacetonyl-4-iminoantipyrine and tyrosine

Soundaranayaki, V., Kulandaisamy, A., & Porkodi, J. (2021) · Nucleosides Nucleotides & Nucleic Acids · doi:10.1080/15257770.2021.1973033 · Cited by 10 · see citing works

Antibacterial metabolites from an unexplored strain of marine fungi Emericellopsis minima and determination of the probable mode of action against Staphylococcus aureus and methicillin‐resistant S. aureus

Agrawal, S., Dufossé, L., & Deshmukh, S. K. (2022) · Biotechnology and Applied Biochemistry · doi:10.1002/bab.2334 · Cited by 10 · see citing works

Synthesis of Cu(II) complex with schiff bases derived from aryl-S-benzyildithiocarbazate: Antimicrobial activity and in silico biological properties evaluations

K, G. O. C., M, L. G. O., G, D. D. F. A. T. S., C, J. V., & Burgos, A. E. (2015) · African Journal of Pharmacy and Pharmacology · doi:10.5897/ajpp2015.4383 · Cited by 10 · see citing works

NOVEL APPLICATION OF CULTURED ROOTS OF MOUNTAIN GINSENG (PANAX GINSENG MEYER) AND GINSENOSIDE RE AS SAFE ANTIMELANOGENIC COSMECEUTICAL COMPONENTS

Jiménez-Pérez, Z. E., Kim, Y. J., Castro-Aceituno, V., Mathiyalagan, R., Markus, J., Ahn, S., Simu, S. Y., & Yang, D. (2017) · African Journal of Traditional Complementary and Alternative Medicines · doi:10.21010/ajtcam.v14i5.24 · Cited by 10 · see citing works

Modified oxymatrine as novel therapeutic inhibitors against Monkeypox and Marburg virus through computational drug design approaches

Islam, M. R., Biswas, S., Amena, U., Rahman, M., Islam, S., Islam, M. R., Saleh, M. A., Hassan, H. M., Al‐Emam, A., & Zaki, M. E. A. (2024) · Journal of Cellular and Molecular Medicine · doi:10.1111/jcmm.70116 · Cited by 9 · see citing works

cidalsDB: an AI-empowered platform for anti-pathogen therapeutics research

Harigua‐Souiai, E., Masmoudi, O., Makni, S., Oualha, R., Abdelkrim, Y. Z., Hamdi, S., Souiaï, O., & Guizani, I. (2024) · Journal of Cheminformatics · doi:10.1186/s13321-024-00929-7 · Cited by 9 · see citing works

Active induction: a promising strategy for enhancing the bioactivity of lactic acid bacteria

Chen, S., Suo, K., Kang, Q., Zhu, J., Shi, Y., Yi, J., & Lu, J. (2025) · Critical Reviews in Food Science and Nutrition · doi:10.1080/10408398.2025.2479069 · Cited by 9 · see citing works

Unveiling (−)‐Englerin A as a Modulator of L‐Type Calcium Channels

Rodrigues, T., Sieglitz, F., Somovilla, V. J., Cal, P. M. S. D., Galione, A., Corzana, F., & Bernardes, G. J. L. (2016) · Angewandte Chemie · doi:10.1002/ange.201604336 · Cited by 9 · see citing works

Oleuropein induces apoptosis in gastric cancer cell lines by regulating mir-34a, mir-21, and related genes: An experimental and bioinformatic study

Asghariazar, V., Makaremi, S., Zare, E., Danesh, H., Matin, S., Fouladi, N., & Safarzadeh, E. (2024) · International Journal of Biological Macromolecules · doi:10.1016/j.ijbiomac.2024.130527 · Cited by 9 · see citing works

A Drug Mystery of Heterocycles: Various Molecules for One Target or One Compound for Multiple Targets?

Shcherbakova, I. M. (2013) · Chemistry of Heterocyclic Compounds · doi:10.1007/s10593-013-1229-x · Cited by 9 · see citing works

Identification of the natural compound inhibitors against Plasmodium falciparum plasmepsin-II via common feature based screening and molecular dynamics simulations

Manhas, A., Kumar, S., & Jha, P. C. (2020) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2020.1806110 · Cited by 8 · see citing works

Computational Toxicology in Drug Discovery: Opportunities and Limitations

Zakharov, A. V., & Lagunin, A. A. (2014) · Challenges and advances in computational chemistry and physics · doi:10.1007/978-94-017-9257-8_11 · Cited by 8 · see citing works

A systematic study of chemogenomics of carbohydrates

Gu, J., Luo, F., Chen, L., Yuan, G., & Xu, X. (2014) · Molecular BioSystems · doi:10.1039/c3mb70534j · Cited by 8 · see citing works

Green synthesis and in silico characterization of 4-Hydroxy-3-methoxybenzaldehyde Schiff bases for insulysin inhibition - a potential lead for type 2 diabetes mellitus

Chigurupati, S., Palanimuthu, V. R., Suganya, K., Sumathi, S., & Ramaiah, V. V. (2021) · Journal of Applied Pharmaceutical Science · doi:10.7324/japs.2021.110706 · Cited by 7 · see citing works

PREDICATION OF BIOLOGICAL ACTIVITY OF ALGAL ANTITUMOR DRUGS USING PASS

Raj, R. A., Lenin, E. A., Viswanathan, C. L., & Sangeetha, B. (2010) · Pharmacologyonline · Cited by 11 · see citing works

Summary

Ramakrishnan, A., Azhaguraj, R., Lenin, E. A., Viswanathan, C., & Sangeetha, B. (2010)

Computer-aided estimation of pleiotropic effects of drugs

Лагунин, А. А., Pogodin, P. V., & Shatinina, S. Z. (2013)

PASS-assisted exploration of new therapeutic potential of natural products

Goel, R. K., Singh, D., Lagunin, A. A., & Poroikov, V. (2010) · Medicinal Chemistry Research · doi:10.1007/s00044-010-9398-y · Cited by 214 · see citing works

How to acquire new biological activities in old compounds by computer prediction

Poroikov, V., & Filimonov, D. A. (2002) · Journal of Computer-Aided Molecular Design · doi:10.1023/a:1023836829456 · Cited by 100 · see citing works