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Publications

2025

BioRXiv

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Anticancer synthetic arylsulfonamides with Wnt1-modulating activity

Gutti, Mihira; Luo, Jennifer; Sharma, Vihaan; Lee, Emilia; Desarkar, Arshia; Raval, Rushika; Soedarmono, Augustus; Zhu, Joy; Njoo, Edward. BioRXiv Preprint 2025, in review. DOI: https://www.preprints.org/manuscript/202412.1288/v1

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2024

BioRXiv

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Direct Expression of CPT1a Enables a High Throughput Platform for the Discovery of CPT1a Modulators

Chen, Jason; Tran, Tuyen; Wong, Anthony; Wang, Luofei; Annaluru, Pranavi; Sreekanth, Vibha; Murthy, Samika; Munjeti, Laasya; Park, Tanya; Bhat, Utkarsh; Leong, Glynnis; Li, Yumeng; Chen, Simeng; Kong, Natalie; Raval, Rushika; Xie, Yining; Somani, Shreya; Bhambhani; Aditi; Zhu, Zoey; Chu, Landen; Dosch, Kimai; Njoo, Edward; Chen, Zhan. BioRXiv Preprint 2024, in review. DOI: https://www.preprints.org/manuscript/202412.1288/v1

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Artificial Intelligence Chemistry

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Evaluation of machine learning models for the accelerated prediction of Density Functional Theory calculated 19F chemical shifts based on local atomic environments

Li, Sophia; Wang, Emma; Pei, Leia; Deb, Sourodeep; Panda, Raina; Prabhala, Prashanth; Eltepu, Shiven; Akl, Marx; McMahan, Larry; Njoo, E.S. Artificial Intelligence Chemistry 2024, in press. DOI: https://doi.org/10.1016/j.aichem.2024.100078

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MDPI Spectroscopy Journal

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Benchtop 19F NMR Spectroscopy optimized Knorr pyrazole synthesis of Celecoxib and Mavacoxib, 3-(trifluoromethyl) pyrazolyl benzenesulfonamides Non-Steroidal Anti-Inflammatory Drugs (NSAIDs)

Chyu, Andrew; Xi, Selina; Kim, Joshua; Liu, Galen; Chan, Indalina; Hong, Seoyeon; Ke, Allen; Lavery, Thomas; Marimuthu, Anushree; Akula, Arjun; Njoo, E.S. Spectroscopy J 2024, 2(4), 206-215. DOI: https://doi.org/10.3390/spectroscj2040014

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BioRXiv

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Synthesis and Evaluation of Carmofur Analogs as Antiproliferative Agents, Inhibitors to the Main Protease (Mpro) of SARS-CoV-2, and Membrane Rupture-Inducing Agents

Gu, Tiffany; Lu, Amber; Wang, Xina; Brahan, Natalie; Xu, Lexi; Zhang, Leyuan; Su, Kaitlyn; Seow, Kody; Vu, Julia; Luk, Charissa; Lee, Jade; Raman, Anirudh; Pazzi, Joseph; Njoo, E.S. BioRXiv 2024. DOI: https://doi.org/10.1101/2024.10.11.617727 

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Bioorganic Medicinal Chemistry Letters

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Synthesis, antiproliferative activity, and biological profiling of C-19 trityl and silyl ether andrographolide analogs in colon cancer and breast cancer cells

Gu, Tiffany; Raval, Rushika; Bashkin, Zachary; Zhou, Carina; Ko, Sanghyuk; Kong, Natalie; Hong, Seoyeon; Bhaskara, Aditya; Shah, Samarth; Joshi, Aditi; Thellakal, Samahith; Rim, Kaitlyn; Marimuthu, Anushree; Venkatesan, Srishti; Wang, Emma; Li, Sophia; Jayabalan, Aditi; Tao, Alice; Fang, Yilin, Xia, Lorelei; Chui, Aidan; Shu, Emily; Zhang, Tracy; Chen, Zhan; Njoo, Edward. Bioorg. Medicinal Chemistry Letters 2024, manuscript accepted. [ChemRXiv Preprint] DOI: 10.26434/chemrxiv-2024-lrkln

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Natural Product Research

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C-4 analogs of podophyllotoxin as tubulin inhibitors: Synthesis, biological evaluation, and structure-activity relationship

Lu, Breanna; Xu, Lexi; Chen, Harriet; Yu, Grace; Khow, Kimberly; Yang, Stella; Dinker, Arushi; Njoo, E.S. Natural Product Research 2024, 1, 1-7. DOI: https://doi.org/10.1080/14786419.2024.2410410 

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Journal of Emerging Investigators

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Mechanistic Deconvolution of Autoreduction in Tetrazolium-based Cell Viability Assays

Tran, Kara; Shah, Aashi; Saha, Rittika; Song, Claire; Liang, Emily; Njoo, E.S. Journal of Emerging Investigators 2024, online. DOI: https://doi.org/10.59720/22-186

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2023

Canadian Journal of Chemistry

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Benchtop 19 F nuclear magnetic resonance spectroscopy enabled kinetic studies and optimization of the synthesis of carmofur

Wang, Xina; Vu, Julia; Luk, Charissa; Njoo, E.S. Canadian Journal of Chemistry 2023, ASAP. DOI: 10.1139/cjc-2022-0266

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ACS Omega

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Benchtop 19F nuclear magnetic resonance (NMR) spectroscopy provides mechanistic insight into the Biginelli condensation towards the chemical synthesis of novel trifluorinated dihydro- and tetrahydropyrimidinones as antiproliferative agents

Chen, Rosie; Singh, Pratyush; Su, Sarah; Kocalar, Selin; Wang, Xina; Mandava, Neha; Venkatesan, Srishti; Ferguson, Adrienne; Rao, Aishi; Le, Emma; Rojas, Casey; Njoo, ACS Omega 2023, 8, 11, 10545–10554. DOI: https://doi.org/10.1021/acsomega.3c00290

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Journal of Emerging Investigators

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Strain selective in vivo and in silico structure activity relationship of tetracycline antibiotics

Zhou, Alice; Li, Shelley; Long, Vivian; Dai, Emily; Long, Lawrence; Njoo, E.S. Journal of Emerging Investigators 2023, manuscript accepted.

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ChemRXiv

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Key Molecular Descriptors Distinguishing Between Synthetic and Natural Products

Thomas, Nathaniel; Bhatnagar, Sweekrit; Agarwal, Avirral; Iyer, Anya; Sankar, Niranjana; Bhargava, Manav; Ye, Spencer; Li, Edwin; Nandi, Ritam; Njoo, E.S.; Downing, R.A. ChemRXiv 2023, DOI: 10.26434/chemrxiv-2023-t2lwf

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Journal of Emerging Investigators

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Mass spectrometry enabled quantification of dopamine and metabolites

Liu, Bridget; Zhong, Alan; Ferguson, Adrienne; Shah, Aashi; Hsu, Nathan; Agarwal, Yash; Yu, Erika; Njoo, E.S. manuscript in review.

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2022

Journal of Emerging Investigators

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High-performance liquid chromatography insight in pH-dependent hydrolysis of andrographolide acetonide

Shu, Emily; Lloyd, Madeleine; Marimuthu, Anushree; Kulkarni, Anika; Chen, Rosie; Venkatesan, Srishti; Athreya, Samyukta; Kulkarni, Riya; Wang, Jonathan; Sreedhar, Aditya; Bianco, Nadia; Hyunh, Kaithlyn; Han, Eric; Gore, Adrian; Chen, Raymond; Yamamoto, Akira; Njoo, E.S. J. Emerging Investigators, manuscript in review 2022

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Journal of Emerging Investigators

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High-Throughput Virtual Screening and Homology Modeling Enables the Identification of Hit Analogs of Efavirenz

Li, Shelley; Pandrangi, Kavya; Njoo, E.S. manuscript accepted 2022

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Journal of Emerging Investigators

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Modular mimics of neuroactive alkaloids: design, synthesis, and cholinesterase activity of novel rivastigmine analogs

Yu, Erika; Raghavan, Shloka; Anand, Shreya; Xu, Harrison, Nepani, Tvisha; Nambiar, Niharika; Vu, Julia; Zhang, Alivia; Babu, Suhani; Brierley-Green, Elena; Peer, Anushka; Finkelstein, Alice; Ferguson, Adrienne; Avadhani, Udbhav, Nittala, Sanhita; Njoo, E.S2022, online [Editor's Choice]

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Journal of Emerging Investigators

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Singlet oxygen production of reduced berberine analogs via a 4+2 cycloaddition monitored by benchtop NMR

Su, Sarah; Le, Emma; Sri Indran, Karthikha; Pal, Sohie; Regan, Anika; Jain, Meher; Shah, Aashi; Njoo, E.S. manuscript accepted 2022

DOI: https://doi.org/10.59720/22-078

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Journal of Emerging Investigators

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Quantitative Definition of Chemical Complexity Through Gaussian Mixture Models and Autoencoder Approaches

Baranwal, Tanish; Huang, Howard; Avadhani, Udbhav, Goyal, Anya; Samavedam, Akhil; Kale, Mihir; Nepani, Tvisha; Hu, Timothy; Srikanth, Vishak; Downing, R.A. Njoo, E.S. manuscript accepted 2022

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Journal of Emerging Investigators

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In vivo and in silico structure activity relationship of nematocidal activity of spiroketal-functionalized avermectin-related macrolides

Raghavan, Shloka; Nambiar, Niharika; Thomas, Nathaniel; Brierley-Green, Elena; Nepani, Tvisha; Babu, Suhani; Njoo, Edward. manuscript submitted 2022

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Journal of Emerging Investigators

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Strain selective in-vivo and in silico structure-activity relationship (SAR) of tetracycline antibiotics

Zhou, Alice; Li, Emily; Long, Vivian; Dai, Emily; Long, Lawrence; Njoo, Edward, manuscript accepted, 2022

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Journal of Emerging Investigators

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Quantitative NMR spectroscopy reveals solvent effects in the photochemical degradation of thymoquinone

Mandava, Neha; Avadhani, Udbhav; Le, Stacey; Goyal, Emily; Pang, Amanda; Njoo, Edward, manuscript accepted, 2022

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2021

Journal of Emerging Investigators

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Comparative screening of dose-dependent and strain-specific antimicrobial efficacy of berberine against a representative library of broad spectrum antibiotics

Sun, Stephanie; Su, Andrew; Sakhrani, Simrun; Ashok, Bhavesh; Su, Sarah; Rajamanickam, Sarada; Njoo, E.S. J. Emerging Investigators 2021, 4(1), 1-7online.

DOI: https://doi.org/10.59720/20-041

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Journal of Emerging Investigators

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Comparative singlet oxygen photosensitizer efficiency of berberine, rose bengal, and methylene blue by time course nuclear magnetic resonance (NMR) monitoring of a photochemical 4+2 cycloaddition endoperoxide formation

Su, Sarah; Sri Indran, Karthikha; Pal, Sohie; Le, Emma; Regan, Anika; Jain, Meher; Shah, Aashi; Iglesias, David; Wang, Andrew; Njoo, Edward. J. Emerging Investigators 2021, 4(1), online.

DOI: https://doi.org/10.59720/21-005

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Journal of Emerging Investigators

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Design and in silico screening of analogs of rilpivirine as novel non-nucleoside reverse transcriptase inhibitors (NNRTIs) for antiretroviral therapy

Wu, Jeslyn; Luk, Charissa; Zhou, Catherine; Shah, Aashi; Yuvaraj, Aishwarya; Njoo, E.S. J. Emerging Investigators 2021, 9(2), 1082.

​DOI: https://doi.org/10.59720/20-218

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Journal of Emerging Investigators

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Novel biaryl imines and amines as potential competitive inhibitors of dihydropteroate synthase

Chang, Warren; Rajaram, Vigasini; Yallapali, Harshith; Dong, Arielle; Huang, Kimberly; Valiveru, Anirudh; Njoo, E.S. J. Emerging Investigators 2021.

DOI: https://doi.org/10.59720/20-211

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Journal of Emerging Investigators

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Hammett linear free-energy relationships in the biocatalytic hydrolysis of para-substituted nitrophenyl benzoate esters

Kocalar, Selin; Zhou, Catherine; Tan, Jaden; Liu, Alex; Chen, Ellion, Salahifar, Aylin; Verma, Pranjal; Pemmaraju, Saanvi; Njoo, Edward. J. Ermging Investigators 2021 4(1), online.

DOI: https://doi.org/10.59720/21-040

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Journal of Emerging Investigators

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Strain-selective in vitro and in silico structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics

Poosarla, Ayeeshi; Kolala, Ria; Verma, Pranjal; Surapaneni, Anvi; Surapaneni, Atri; Avadhani, Udbhav; Chatterjee, Chandraki; Wang-Zhou, Sarah; Le, Stacey; Goyal, Emily; Matai, Reha; Duvoor, Aashika; Njoo, Edward. J. Emerging Investigators 2021, 4(1), online.

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2020

Journal of Emerging Investigators

Strain-specific and photochemically-activated antimicrobial activity of berberine and two berberine analogs

Sun, Stephanie; Hamid, Saira; Su, Sarah; Su, Andrew; Ashok, Bhavesh; Sakhrani, Simrun;; Njoo, E.S. 2020

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Journal of Emerging Investigators

Comparative screening of dose-dependent and strain-specific antimicrobial efficacy of berberine against a representative library of broad spectrum antibiotics

Sun, Stephanie; Su, Andrew; Sakhrani, Simrun; Ashok, Bhavesh; Su, Sarah; Rajamanickam, Sarada; Njoo, E.S. ASAP 2020

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Journal of Emerging Investigators

Kinetic monitoring and Fourier-Transform Infrared (FTIR) spectroscopy of the green oxidation of (-)-menthol to (-)-menthone

Surapaneni, Anvi; Surapaneni, Atri; Wu, Jeslyn; Bajaj, Ayush; Reyes, Katrina Mae; Adwankar, Rohan; Vittaladevuni, Ananya; Njoo, E.S. 2020

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Young Scientists Journal

A Review of Non-Nucleoside Reverse Transcriptase Inhibitors’ Structure and Activity with HIV-1 Reverse Transcriptase

Surapaneni, Anvi; Surapaneni, Atri; Adwankar, Rohan; Reyes, Katrina Mae; Vittaladevuni, Ananya; Njoo, E.S. 2020

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Journal of Student Research

Reactivity-guided de novo molecular design and high throughput virtual screening of a targeted library of peptidomimetic compounds reveals charge-based structure-activity
relationship of potential covalent inhibitors of the main protease of SARS-CoV-2

Sun, Stephanie; Anand, Kavya; Ashok, Ishani; Ashok, Bhavesh; Bajaj, Ayush; Beldona, Varsha; Chattopadhyay, Kushal; Kwan, Audrey; Mageswaran, Karankumar; Surapaneni, Anvi; Surapaneni, Atri; Verma, Pranjal; Chen, Allen; Kolala, Ria; Liang, Andrew; Poosarla, Ayeeshi; Premnath, Krithikaa; Sri Indran, Karthikha; Wu, Jeslyn; Yuvaraj, Aishwarya; Raj, Harsha; Sathish, Tanish; Shah, Aashi; Su, Sarah; Tran, Kara; Njoo, E.S. 2020, 9(2), 1082.

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Journal of Emerging Investigators

Computational structure-activity relationship (SAR) of berberine analogs reveals both position- and target-dependence in double stranded and G-quadruplex DNA binding

Sun, Stephanie; Ashok, Bhavesh; Su, Andrew; Hamid, Saira; Sri Indran, Karthikha; Shah, Aashi; Su, Sarah; Sakhrani, Simrun; Njoo, E.S. 2020

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Journal of Emerging Investigators

National High School Journal of Science

Tracking Enzymatic Hydrolysis of an Amide Bond Using Highly Simplified 4-nitroanilide Colorimetric Substrates

Chen, Allen; Poosarla, Ayeeshi; Liang, Andrew; Njoo, E.S.* ASAP 2020

Journal of Emerging Investigators

Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Chen, Allen; Poosarla, Ayeeshi; Mageswaran, Karan; Rajasekhar, Anushka; Fu, Brian; Liang, Andrew; Tran, Kara; Njoo, E.S.2020

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