Identification of novel acetylcholinesterase inhibitors: Indolopyrazoline derivatives and molecular docking studies

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Synthesis of novel derivatives of oxindole, their urease inhibition and molecular docking studies

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Synthesis and bioactivities of pyrazoline benzensulfonamides as carbonic anhydrase and acetylcholinesterase inhibitors with low cytotoxicity

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Current progress on antioxidants incorporating the pyrazole core

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New Hybrid Hydrazinyl Thiazole Substituted Chromones: As Potential α-Amylase Inhibitors and Radical (DPPH & ABTS) Scavengers

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Synthesis, in vitro bio-evaluation, and molecular docking study of thiosemicarbazone-based isatin/bis-Schiff base hybrid analogues as effective cholinesterase inhibitors

Khan, S., Ullah, H., Hussain, R., Khan, Y., Khan, M. U., Khan, M., Sattar, A., & Khan, M. S. (2023) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2023.135351 · Cited by 98

Synthesis and biological evaluation of new pyrazolone Schiff bases as monoamine oxidase and cholinesterase inhibitors

Tok, F., Koçyiğit‐Kaymakçıoğlu, B., Sağlık, B. N., Levent, S., Özkay, Y., & Kaplancıklı, Z. A. (2018) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2018.11.016 · Cited by 93

Phytochemical profile, antioxidant activity, inhibition of acetylcholinesterase and interaction mechanism of the major components of the Piper divaricatum essential oil obtained by supercritical CO2

de Oliveira, M. S., Cruz, J. N., Silva, S. G., da Costa, W. A., de Sousa, S. H. B., Bezerra, F. W. F., Teixeira, E., da Silva, N. J. N., Andrade, E. H. D. A., Neto, A. M. D. J. C., et al. (2018) · The Journal of Supercritical Fluids · doi:10.1016/j.supflu.2018.12.003 · Cited by 84

Multipotent Cholinesterase Inhibitors for the Treatment of Alzheimer’s Disease: Synthesis, Biological Analysis and Molecular Docking Study of Benzimidazole-Based Thiazole Derivatives

Hussain, R., Ullah, H., Rahim, F., Sarfraz, M., Taha, M., Iqbal, R., Rehman, W. U., Khan, S., Shah, S. A. A., Hyder, S., et al. (2022) · Molecules · doi:10.3390/molecules27186087 · Cited by 78

Molecular docking of phenolic compounds and screening of antioxidant and antidiabetic potential of Moringa oleifera ethanolic leaves extract from Qassim region, Saudi Arabia

Chigurupati, S., Al-murikhy, A., Almahmoud, S. A., Almoshari, Y., Ahmed, A. S., Vijayabalan, S., Felemban, S. G., & Palanimuthu, V. R. (2021) · Saudi Journal of Biological Sciences · doi:10.1016/j.sjbs.2021.10.021 · Cited by 66

New Hybrid Scaffolds based on Hydrazinyl Thiazole Substituted Coumarin; As Novel Leads of Dual Potential; In Vitro α-Amylase Inhibitory and Antioxidant (DPPH and ABTS Radical Scavenging) Activities

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Synthesis, In Vitro Biological Evaluation and In Silico Molecular Docking Studies of Indole Based Thiadiazole Derivatives as Dual Inhibitor of Acetylcholinesterase and Butyrylchloinesterase

Khan, S., Iqbal, S., Taha, M., Rahim, F., Shah, M., Ullah, H., Bahadur, A., Alrbyawi, H., Dera, A. A., Alahmdi, M. I., et al. (2022) · Molecules · doi:10.3390/molecules27217368 · Cited by 60

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

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Thiourea Derivatives, Simple in Structure but Efficient Enzyme Inhibitors and Mercury Sensors

Rahman, F. U., Bibi, M., Khan, E., Shah, A. B., Jan, M. R., Tahir, M. N., Shahzad, A., Ullah, F., Zahoor, M., Alamery, S. F., et al. (2021) · Molecules · doi:10.3390/molecules26154506 · Cited by 54

Synthesis of New Triazole-Based Thiosemicarbazone Derivatives as Anti-Alzheimer’s Disease Candidates: Evidence-Based In Vitro Study

Rahim, F., Ullah, H., Taha, M., Hussain, R., Sarfraz, M., Iqbal, R., Iqbal, N., Khan, S., Shah, S. A. A., Albalawi, M. A., et al. (2022) · Molecules · doi:10.3390/molecules28010021 · Cited by 50

New pyridine derivatives as inhibitors of acetylcholinesterase and amyloid aggregation

Pandolfi, F., Vita, D. D., Bortolami, M., Coluccia, A., Santo, R. D., Costi, R., Andrisano, V., Alabiso, F., Bergamini, C., Fato, R., et al. (2017) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2017.09.022 · Cited by 50

Synthesis of azomethines derived from cinnamaldehyde and vanillin: in vitro aetylcholinesterase inhibitory, antioxidant and insilico molecular docking studies

Chigurupati, S., Selvaraj, M., Mani, V., Mohammad, J. I., Selvarajan, K. K., Akhtar, S. S., Maharajan, M. K., Raj, S., Teh, L. K., & Salleh, M. Z. (2017) · Medicinal Chemistry Research · doi:10.1007/s00044-017-2104-6 · Cited by 48

Synthesis, characterization, biological evaluation, and kinetic study of indole base sulfonamide derivatives as acetylcholinesterase inhibitors in search of potent anti-Alzheimer agent

Taha, M., Alshamrani, F., Rahim, F., Anouar, E. H., Uddin, N., Chigurupati, S., Almandil, N. B., Farooq, R. K., Iqbal, N., Aldubayan, M. A., et al. (2021) · Journal of King Saud University - Science · doi:10.1016/j.jksus.2021.101401 · Cited by 46

Anti-Microbial, Anti-Oxidant, and α-Amylase Inhibitory Activity of Traditionally-Used Medicinal Herbs: A Comparative Analyses of Pharmacology, and Phytoconstituents of Regional Halophytic Plants’ Diaspora

Al-Omar, M. S., Mohammed, H. A., Mohammed, S. A. A., Abd-Elmoniem, E. M., Kandil, Y. I., Eldeeb, H. M., Chigurupati, S., Sulaiman, G. M., Al-Khurayyif, H., Almansour, B. S., et al. (2020) · Molecules · doi:10.3390/molecules25225457 · Cited by 41

Development of spiro-3-indolin-2-one containing compounds of antiproliferative and anti-SARS-CoV-2 properties

Fawazy, N. G., Panda, S. S., Mostafa, A., Kariuki, B. M., Bekheit, M. S., Moatasim, Y., Kutkat, O., Fayad, W., El‐Manawaty, M. A., Soliman, A. A. F., et al. (2022) · Scientific Reports · doi:10.1038/s41598-022-17883-9 · Cited by 38

Construction of Spirooxindole Analogues Engrafted with Indole and Pyrazole Scaffolds as Acetylcholinesterase Inhibitors

Islam, M. S., Al‐Majid, A. M., Azam, M., Verma, V. P., Barakat, A., Haukka, M., Elgazar, A. A., Mira, A., & Badria, F. A.-E. (2021) · ACS Omega · doi:10.1021/acsomega.1c03978 · Cited by 36

Microwave assisted synthesis of novel hybrid tacrine-sulfonamide derivatives and investigation of their antioxidant and anticholinesterase activities

Ulus, R., Kurt, B. Z., Gazioğlu, I., & Kaya, M. (2017) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2017.01.005 · Cited by 36

Repurposing of FDA-approved drugs as dual-acting MAO-B and AChE inhibitors against Alzheimer's disease: An in silico and in vitro study

Mateev, E., Kondeva-Burdina, M., Georgieva, M., & Zlatkov, A. (2023) · Journal of Molecular Graphics and Modelling · doi:10.1016/j.jmgm.2023.108471 · Cited by 35

Design, synthesis, characterization, crystal structure, in silico studies, and inhibitory properties of the PEPPSI type Pd(II)NHC complexes bearing chloro/fluorobenzyl group

Gök, Y., Taslımı, P., Şen, B., Bal, S., Aktaş, A., Aygün, M., Sadeghi, M., & Gülçın, İ. (2023) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2023.106513 · Cited by 31

Pharmacological and pharmacognostical valuation of Canna indica leaves extract by quantifying safety profile and neuroprotective potential

Chigurupati, S., Alharbi, N., Sharma, A. K., Alhowail, A. H., Vardharajula, V. R., Vijayabalan, S., Das, S., Fatema, K., & Amin, E. (2021) · Saudi Journal of Biological Sciences · doi:10.1016/j.sjbs.2021.05.072 · Cited by 30

Molecular docking of phenolic compounds and screening of antioxidant and antidiabetic potential of Olea europaea L. Ethanolic leaves extract

Chigurupati, S., Alharbi, F. S., Almahmoud, S. A., Aldubayan, M. A., Almoshari, Y., Vijayabalan, S., Bhatia, S., Chinnam, S., & Venugopal, V. (2021) · Arabian Journal of Chemistry · doi:10.1016/j.arabjc.2021.103422 · Cited by 29

Investigation of potent inhibitors of cholinesterase based on thiourea and pyrazoline derivatives: Synthesis, inhibition assay and molecular modeling studies

Mumtaz, A., Majeed, A., Zaib, S., Rahman, S. U., Hameed, S., Saeed, A., Rafique, H., Mughal, E. U., Maalik, A., Hussain, I., et al. (2019) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2019.103036 · Cited by 28

Synthesis of Spirooxindole Analogs Tethered Pyrazole Scaffold as Acetylcholinesterase Inhibitors

Islam, M. S., Al‐Majid, A. M., Azam, M., Verma, V. P., Barakat, A., Haukka, M., Domingo, L. R., Elgazar, A. A., Mira, A., & Badria, F. A.-E. (2021) · ChemistrySelect · doi:10.1002/slct.202103255 · Cited by 27

Synthesis,in vitrobiological screening and docking study of benzo[d]oxazolebisSchiff base derivatives as a potent anti-Alzheimer agent

Taha, M., Rahim, F., Zaman, K., Anouar, E. H., Uddin, N., Nawaz, F., Sajid, M., Khan, K. M., Shah, S. A. A., Wadood, A., et al. (2022) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2021.2023640 · Cited by 22

Identification of New Potent Acetylcholinesterase Inhibitors Using Virtual Screening and in vitro Approaches

Mokrani, E. H., Benseguenı, A., Chaput, L., Beauvineau, C., Djeghim, H., & Mouawad, L. (2019) · Molecular Informatics · doi:10.1002/minf.201800118 · Cited by 22

Synthesis, Biological Evaluation, Molecular Docking and ADME Studies of Novel Pyrrole-Based Schiff Bases as Dual Acting MAO/AChE Inhibitors

Mateev, E., Kondeva-Burdina, M., Georgieva, M., Mateeva, A., Valkova, I., Tzankova, V., & Zlatkov, A. (2024) · Scientia Pharmaceutica · doi:10.3390/scipharm92020018 · Cited by 21

Computational Studies on Acetylcholinesterase Inhibitors: From Biochemistry to Chemistry

Bagri, K., Kumar, A., Manisha, M., & Kumar, P. P. (2019) · Mini-Reviews in Medicinal Chemistry · doi:10.2174/1389557520666191224144346 · Cited by 21

Synthesis and molecular modeling studies of cholinesterase inhibitor dispiro[indoline-3,2′-pyrrolidine-3′,3′′-pyrrolidines]

Youssef, M. A., Panda, S. S., El‐Shiekh, R. A., Shalaby, E. M., Aboshouk, D. R., Fayad, W., Fawzy, N. G., & Girgis, A. S. (2020) · RSC Advances · doi:10.1039/d0ra03064c · Cited by 21

The Valorization of Spent Coffee Ground Extract as a Prospective Insecticidal Agent against Some Main Key Pests of Phaseolus vulgaris in the Laboratory and Field

Hussein, H., Abouamer, W., Ali, H., Elkhadragy, M., Yehia, H., & Farouk, A. (2022) · Plants · doi:10.3390/plants11091124 · Cited by 20

Synthesis of Spiro‐oxindole Analogs Engrafted Pyrazole Scaffold as Potential Alzheimer's Disease Therapeutics: Anti‐oxidant, Enzyme Inhibitory and Molecular Docking Approaches

Islam, M. S., Al‐Majid, A. M., Sholkamy, E. N., Yousuf, S., Ayaz, M., Nawaz, A., Wadood, A., Rehman, A. U., Verma, V. P., Rahman, A. F. M. M., et al. (2022) · ChemistrySelect · doi:10.1002/slct.202203047 · Cited by 19

Synthesis, molecular docking, and biological evaluation of novel 2-pyrazoline derivatives as multifunctional agents for the treatment of Alzheimer's disease

Tan, O. Ü., Küçükkılınç, T. T., Ayazgök, B., Balkan, A., & Ozadali‐Sari, K. (2019) · MedChemComm · doi:10.1039/c9md00030e · Cited by 19

Synthesis, biological evaluation and in silico molecular modelling studies of chloro substituted bis-indole containing benzohydrazide analogues as potential anti-diabetic and anti-Alzheimer's agents

Alzahrani, A. Y. A., Ullah, H., Rahim, F., Alraih, A. M., Khan, S., Hussain, A., Hussain, R., Iqbal, N., & Nawaz, F. (2024) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2024.138908 · Cited by 18

Design, Synthesis, In Vitro Biological Evaluation and In Silico Molecular Docking Study of Benzimidazole-Based Oxazole Analogues: A Promising Acetylcholinesterase and Butyrylcholinesterase Inhibitors

Hussain, R., Rahim, F., Ullah, H., Khan, S., Sarfraz, M., Iqbal, R., Suleman, F., & Al‐Sadoon, M. K. (2023) · Molecules · doi:10.3390/molecules28207015 · Cited by 17

Molecular Docking, ADMET Analysis and Dynamics Approach to Potent Natural Inhibitors against Sex Hormone Binding Globulin in Male Infertility

Esther, M. Y. J., Vijayakumar, S., Kumar, A. P., Subramanian, M., & Manogar, P. (2017) · Pharmacognosy Journal · doi:10.5530/pj.2017.6s.155 · Cited by 16

Novel Pyrrole Derivatives as Multi-Target Agents for the Treatment of Alzheimer’s Disease: Microwave-Assisted Synthesis, In Silico Studies and Biological Evaluation

Mateev, E., Karatchobanov, V., Dedja, M., Diamantakos, K., Mateeva, A., Muhammed, M. T., Irfan, A., Kondeva-Burdina, M., Valkova, I., Georgieva, M., et al. (2024) · Pharmaceuticals · doi:10.3390/ph17091171 · Cited by 15

Bioactivity of hamamelitannin, flavokawain A, and triacetyl resveratrol as natural compounds: Molecular docking study, anticolon cancer, and anti‐Alzheimer potentials

Zhang, M., Jiao, X., Chen, X., Elsaid, F. G., Salem, E. T., Ghanem, R. A., El-kott, A. F., & Xu, Z. (2022) · Biotechnology and Applied Biochemistry · doi:10.1002/bab.2394 · Cited by 15

Synthesis and anticholinesterase activity of novel non-hepatotoxic naphthyridine-11-amine derivatives

Kurt, B. Z. (2018) · Molecular Diversity · doi:10.1007/s11030-018-9897-1 · Cited by 15

Design, synthesis, in vitro acetylcholinesterase, butyrylcholinesterase activities, and in silico molecular docking study of oxindole-oxadiazole hybrid analogues

Alzahrani, A. Y. A., Ullah, H., Bhat, M. A., Rahim, F., Al-Wesabi, E. O., & Alanazi, T. Y. A. (2023) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2023.137167 · Cited by 14

Synthesis, in vitro biological evaluation and in silico molecular docking study of hydroxy‑quinoline based sulfonohydrazide derivatives as potential acetylcholinesterase and butyrylcholinesterase inhibitors

Alzahrani, A. Y. A., Ullah, H., Rahim, F., Khan, F., Wadood, A., Taha, M., Al-Bagawi, A. H., Fareid, M. A., & Othman, M. S. (2024) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2024.137884 · Cited by 13

Modification of Bischler-Möhlau indole derivatives through palladium catalyzed Suzuki reaction as effective cholinesterase inhibitors, their kinetic and molecular docking studies

Parveen, S., Shah, M. S., Zaib, S., Gul, T., Khan, K. M., Iqbal, J., & Hassan, A. (2017) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2017.11.003 · Cited by 13

Flurbiprofen Derivatives as Potential DPPH and ABTS Radical Scavengers

Khan, M., Alam, A., Salar, U., Chigurupati, S., Saleem, F., Hameed, S., Taha, M., & Khan, K. M. (2023) · Russian Journal of Organic Chemistry · doi:10.1134/s1070428023090154 · Cited by 12

Cholinesterase inhibitors for the treatment of Alzheimer's disease: Synthesis, biological analysis and molecular docking study of sulphur containing heterocyclic analogues

Ullah, H., Rahim, F., Uddin, I., Taha, M., Khan, M. U., Khan, F., Khan, S., Hussain, R., Hussain, A., Iqbal, N., et al. (2024) · Chemical Data Collections · doi:10.1016/j.cdc.2024.101132 · Cited by 12

New Benzodioxine based oxadiazole Analogues as a Potent Anti-Alzheimer’s Agents: Design, synthesis, bioevaluation, molecular docking and ADME analysis

Ain, Q. U., Ullah, H., Taha, M., Rahim, F., Uddin, N., Khan, S., Iqbal, N., Nawaz, F., Iqbal, R., & Khan, K. M. (2025) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2025.142615 · Cited by 11

In vitro antioxidant and in vivo antidepressant activity of green synthesized azomethine derivatives of cinnamaldehyde

Chigurupati, S., Shaikh, S., Mohammad, J. I., Selvarajan, K. K., Nemala, A. R., Khaw, C. H., Teoh, C. F., & Kee, T. (2017) · Indian Journal of Pharmacology · doi:10.4103/ijp.ijp_293_16 · Cited by 11

Thiosemicarbazone derivatives as potential inhibitors of acetylcholinesterase, butyrylcholinesterase and their molecular docking studies

Al-Zahrani, A. A., Awwad, N. S., Ibrahium, H. A., Hayat, S., Ullah, H., Javed, Z., Rahim, F., Khan, M. S., Zada, H., Rab, A., et al. (2023) · Chemical Data Collections · doi:10.1016/j.cdc.2023.101014 · Cited by 11

Antidiabetic, antioxidant and in silico studies of bacterial endosymbiont inhabiting Nephelium lappaceum L.

Chigurupati, S., Vijayabalan, S., Karunanidhi, A., Selvarajan, K. K., Nanda, S. S., & Satpathy, R. (2019) · Analele Universităţii "Ovidius" Constanţa. Seria Chimie/"Ovidius" University Annals of Chemistry · doi:10.2478/auoc-2019-0017 · Cited by 11

Synthesis, molecular docking, and bioactivity study of isoquinoline-sulfonamide hybrid analogues: A promising acetylcholinesterase and butyrylcholinesterase inhibitor candidate

Ullah, H., Rahim, F., Zada, H., Hayat, S., Khan, F., & Khan, M. S. (2023) · Chemical Data Collections · doi:10.1016/j.cdc.2023.101048 · Cited by 10

Synthesis and Molecular Docking of New Bis‐Thiazolidinone‐Based Chalcone Analogs as Effective Inhibitors of Acetylcholinesterase and Butyrylcholinesterase

Hussain, R., Rahim, F., Rehman, W. U., Taha, M., Khan, S., Zaman, K., Shah, S. A. A., Wadood, A., Imran, S., & Abdellattif, M. H. (2022) · Chemistry & Biodiversity · doi:10.1002/cbdv.202200323 · Cited by 9

Synthesis, in vitro acetylcholinesterase, butyrylcholinesterase activities and in silico molecular docking study of thiazole-thiourea hybrid derivatives

Ullah, H., Rahim, F., Taha, M., Khan, F., Mehran, M., Alotaibi, B. S., Zulfat, M., & Wadood, A. (2023) · Chemical Data Collections · doi:10.1016/j.cdc.2023.101025 · Cited by 8

Synthesis, in silico analysis and antidepressant activity of pyrazoline analogs

Aggarwal, N. N., Gatphoh, B. F. D., Kumar, M. V., Ghetia, S. M., & Revanasiddappa, B. C. (2021) · The Thai Journal of Pharmaceutical Sciences · doi:10.56808/3027-7922.2469 · Cited by 8

Synthesis of Anti‐Alzheimer Molecules: Bridging Chemical Approaches to Pharmaceuticals

Abbas, H., Noor, F., Khalid, S., Ahmad, M., Rasool, N., Malik, A. I., & Imran, M. (2025) · ChemistrySelect · doi:10.1002/slct.202405965 · Cited by 7

ANTIOXIDANT AND ANTIDIABETIC POTENTIALS OF Cucurbita pepo LEAVES EXTRACT FROM THE GULF REGION

Chigurupati, S., AlGobaisy, Y. K., Alkhalifah, B., Alhowail, A. H., Bhatia, S., Das, S., & Vijayabalan, S. (2021) · RASAYAN Journal of Chemistry · doi:10.31788/rjc.2021.1446455 · Cited by 7

Synthesis and molecular docking study of thiophene-bearing thiourea derivatives as potential acetylcholinesterase, and butyrylcholinesterase inhibitors

Ullah, H., Bashir, M., Khan, F., Iqbal, I., Iqbal, A., & Rahim, F. (2024) · Chemical Data Collections · doi:10.1016/j.cdc.2024.101113 · Cited by 7

Molecular docking study of the acetylcholinesterase inhibition

Merzoug, A., Boucherıt, H., Khaled, R., Chefiri, A., Chikhi, A., & Benseguenı, A. (2021) · Current Issues in Pharmacy and Medical Sciences · doi:10.2478/cipms-2021-0005 · Cited by 7

Synthesis, DFT, ADMET and molecular docking studies of thiazole derived thiazolidinone-based chalcone derivatives: alzheimer’s disease current therapies

Nadeem, M. S., Khan, J. A., Kazmi, I. A., Moglad, E. H. O., Afzal, M., Alzarea, S. I., Rahim, F., Khan, S. A., Muhammad, K., & Gupta, G. (2024) · Future Medicinal Chemistry · doi:10.1080/17568919.2024.2421158 · Cited by 6

Benzofuran Hybrids as Cholinesterase (AChE and BChE) Inhibitors: In Vitro, In Silico, and Kinetic Studies

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Development of Oxazine‐Based Hybrids as Inhibitors of α ‐Amylase, α ‐Glucosidase, Acetylcholinesterase (AChE), and Butyrylcholinesterase (BChE) Enzymes, and Potential Therapeutics for Diabetes, Alzheimer's Disease, and Oxidative Stress

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BindingDB Entry 50003257: Current progress on antioxidants incorporating the pyrazole core.

BindingDB (2020) · UC San Diego · doi:10.7270/q28w3h1v

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BindingDB (2020) · UC San Diego · doi:10.7270/q27083zm

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