Journal Publications

Reactivity-informed design, semi-synthesis, and Michael addition kinetics of C-ring diversified andrographolide analogs

Zhou, Alice; Chang, Warren; Wang, Tiffany; Wu, Jeslyn; Kocalar, Selin; Swaminathan, Lakshman; Rao, Aishi; Chanda, Priya; Njoo, E.S. manuscript accepted 2021

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Spectrophotometric comparison of base-catalyzed hydrolysis of 4-Nitrophenyl carbonates and carbamates as colorimetric, base-labile protecting group

Kocalar, Selin; Zhou, Alice; Salahifar, Aylin; Njoo, E.S. online 2021

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In silico screen of a library of carmofur analogs as potential inhibitors of the SARS-CoV-2 main protease and its variants through homology modeling

Luk, Charissa; Nepani, Tvisha; Bhattacharjee, Shamita; Raman, Thoya; Avadhani, Udbhav; Su, Sarah; Raghavan, Shloka; Mandava, Neha; Chanda, Priya; Rao, Aishi; Wang, Xina; Shah, Aashi; Wu, Jeslyn; Njoo, E.S. manuscript submitted 2021

Taft linear free-energy relationships in the biocatalytic hydrolysis of sterically-hindered nitrophenyl ester substrates

Kocalar, Selin; Njoo, E.S. in press 2021

Deuterated solvent effects in the kinetics and thermodynamics of keto-enol tautomerization of ethyl 4,4,4-trifluoroacetoacetate

Wu, Jeslyn; Udgaonkar, Aditya; Rao, Aishi; Njoo, E.S. in press 2021

Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations

Luk, Charissa; Wu, Jeslyn; Njoo, E.S., ASAP 2021

Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

Ashok, Bhavesh; Baranwal, Tanish; Avadhani, Udbhav; Biddala, Geethika; Nepani, Tvisha; Srikanth, Vishak; Zaceria, Luqman; Williams, Natalia; Downing, R.A.*; Njoo, E.S.* manuscript accepted 2021

In silico comparative screening of anti-amyloidogenic properties of a targeted library of natural product polyphenols towards identification of potential leads in therapeutics for amyloid-linked neurodegenerative diseases

Shah, Aashi; Raghavan, Shloka; Bhattacharjee, Shamita; Rajasekhar, Anushka; Beldona, Varsha; Verma, Pranjal; Yuvaraj, Aishwarya; Rajkumar, Harsha; Njoo, E.S. manuscript accepted 2021

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

Kocalar, Selin; Zhou, Catherine; Tan, Jadon; Liu, Alex; Chen, Elliot; Salahifar, Aylin; Verma, Pranjal; Pemmaraju, Saanvi; Njoo, E.S. ASAP 2021

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Strain-selective in vivo 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; Nguyen, Nina; Matai, Reha; Duvoor, Aashika; Njoo, E.S. ASAP 2021

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. ASAP 2021

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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, E.S. online 2021

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Synthetic and Natural Phytohormones: A Review and Analysis of their Development, Functions, and Impacts

Raghavan, Shloka; Anand, Shreya; Vittaladevuni, Ananya; Zhang, Alivia; Mandava, Neha; Biddala, Geethika; Gupta, Navya; Iglesias, David; Njoo, E.S. manuscript submitted 2021

Monastrol and Dihydropyrimidines: The Future of Small Molecule Kinesin Eg5 Inhibitors

Premnath, Krithikaa; Kolala, Ria; Shern, Tyler; Rai, Ansh; Ashok, Ishani; Kwan, Audrey; Njoo, E.S.* 2021

Computational sequence analysis and binding pocket homology modeling of kinesin-like proteins in model organisms provides insight into structural basis of the differential binding of the allosteric inhibitor monastrol

Kwan, Audrey; Yuvaraj, Aishwarya; Raghavan, Shloka; Shern, Tyler; Rai, Ansh; Premnath, Krithikaa; Kolala, Ria; Ashok, Ishani; Njoo, E.S. 2021

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