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Kaavya Krishna Kumar on Muck Rack

Kaavya Krishna Kumar

As seen in: Nature, Science Magazine, BioRxiv, Cell Press, Physical Review B, Scroll.in, The News Minute, The Kootneeti
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Articles

Virtual library docking for cannabinoid-1 receptor agonists with reduced side effects - Nature Communications

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By Tia A. Tummino, Joao M. Braz, Evan S. O’Brien, Veronica Craik, Yuki Shiimura, Dmytro S. Radchenko, Yurii Moroz, Yongfeng Liu, Laurent Sabbagh, John Irwin Verified, Kaavya Krishna Kumar, Alexandros Makriyannis, Allan I. Basbaum
| Nature Verified
Abstract Virtual library docking can reveal unexpected chemotypes that complement the structures of biological targets. Seeking agonists for the cannabinoid-1 receptor (CB1R), we dock 74 million tangible molecules and prioritize 46 high ranking ones for de novo synthesis and testing. Nine are active by radioligand competition, a 20% hit-rate. Structure-based optimization of one of the most potent of these (Ki = 0.7 µM) leads to ‘1350, a 0.95 nM ligand and a full CB1R agonist of Gi/o signaling.
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A cryptic pocket in CB1 drives peripheral and functional selectivity - Nature

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By Vipin Ashok Rangari, Evan S. O’Brien, Richard A Slivicki, Kevin Appourchaux, Deniz Duru Aydin, Nokomis Ramos-Gonzalez, Juliet Mwirigi, Xi-Ping Huang, Brian K. Kobilka, Amynah Pradhan, Michael D. Cameron, Kaavya Krishna Kumar, Ron O. Dror
| Nature Verified
Abstract The current opioid overdose epidemic highlights the urgent need to develop safer and more effective treatments for chronic pain1. Cannabinoid receptor type 1 (CB1) is a promising non-opioid target for pain relief, but its clinical use has been limited by centrally mediated psychoactivity and tolerance. We overcame both issues by designing peripherally restricted CB1 agonists that minimize arrestin recruitment.
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Quantum volunteer's dilemma

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By Dax Enshan Koh, Kaavya Krishna Kumar, Siong Thye Goh
| Physical Review B
The volunteer's dilemma is a well-known game in game theory that models the conflict players face when deciding whether to volunteer for a collective benefit, knowing that volunteering incurs a personal cost. In this work we introduce a quantum variant of the classical volunteer's dilemma, generalizing it by allowing players to utilize quantum strategies.
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