Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study von Kothandan, Gugan, Gadhe, Changdev G, Cho, Seung Joo

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3-Carene, a Phytoncide from Pine Tree Has a Sleep-enhancing Effect by Targeting the GABAA-benzodiazepine Receptors von Woo, Junsung, Yang, Hyejin, Yoon, Minseok, Gadhe, Changdev G, Pae, Ae Nim, Cho, Suengmok, Lee, C Justin

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A Protoberberine derivative HWY336 selectively inhibits MKK4 and MKK7 in mammalian cells: the importance of activation loop on selectivity von Kim, Namil, Park, Jeongyeon, Gadhe, Changdev G, Cho, Seung Joo, Oh, Youngjin, Kim, Donghyun, Song, Kiwon

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Development of an Aryloxazole Derivative as a Brain-Permeable Anti-Glioblastoma Agent von Shin, Seulgi, Lim, Sungsu, Song, Ji Yeon, Kim, Dohee, Choi, Min Jeong, Gadhe, Changdev G., Park, A Young, Pae, Ae Nim, Kim, Yun Kyung

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Binding site exploration of CCR5 using in silico methodologies: a 3D-QSAR approach von Gadhe, Changdev G., Kothandan, Gugan, Cho, Seung Joo

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Synthesis and biological evaluation of pyrrolidine-based T-type calcium channel inhibitors for the treatment of neuropathic pain von Yang, Hak Kyun, Son, Woo Seung, Lim, Keon Seung, Kim, Gun Hee, Lim, Eun Jeong, Gadhe, Changdev G., Lee, Jae Yeol, Jeong, Kyu-Sung, Lim, Sang Min, Pae, Ae Nim

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In silico quantitative structure-activity relationship studies on P-gp modulators of tetrahydroisoquinoline-ethyl-phenylamine series von Gadhe, Changdev G, Madhavan, Thirumurthy, Kothandan, Gugan, Cho, Seung Joo

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Novel 5,6-disubstituted pyrrolo[2,3-d]pyrimidine derivatives as broad spectrum antiproliferative agents: Synthesis, cell based assays, kinase profile and molecular docking study von Lee, Ju-Hyeon, El-Damasy, Ashraf K., Seo, Seon Hee, Gadhe, Changdev G., Pae, Ae Nim, Jeong, Nakcheol, Hong, Soon-Sun, Keum, Gyochang

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Insights into the binding modes of CC chemokine receptor 4 (CCR4) inhibitors: a combined approach involving homology modelling, docking, and molecular dynamics simulation studies von Gadhe, Changdev G, Kim, Mi-hyun

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Structure-activity relationships of fluorene compounds inhibiting HCV variants von Kim, Hee Sun, You, Youngsu, Mun, Jaegon, Gadhe, Changdev G., Moon, Heejo, Lee, Jae Seung, Pae, Ae Nim, Kohara, Michinori, Keum, Gyochang, Kim, Byeong Moon, Jang, Sung Key

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Identification of crizotinib derivatives as potent SHIP2 inhibitors for the treatment of Alzheimer's disease von Lim, Ji Woong, Kim, Seok Kyu, Choi, Seo Yun, Kim, Dong Hoi, Gadhe, Changdev G., Lee, Hae Nim, Kim, Hyo-Ji, Kim, Jina, Cho, Sung Jin, Hwang, Hayoung, Seong, Jihye, Jeong, Kyu-Sung, Lee, Jae Yeol, Lim, Sang Min, Lee, Jae Wook, Pae, Ae Nim

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Docking and 3D-QSAR (quantitative structure activity relationship) studies of flavones, the potent inhibitors of p-glycoprotein targeting the nucleotide binding domain von Kothandan, Gugan, Gadhe, Changdev G., Madhavan, Thirumurthy, Choi, Cheol Hee, Cho, Seung Joo

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Finding new scaffolds of JAK3 inhibitors in public database: 3D-QSAR models & shape-based screening von Gadhe, Changdev G, Lee, Eunhee, Kim, Mi-hyun

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Novel Ionophores with 2n‑Crown‑n Topology: Anion Sensing via Pure Aliphatic C–H···Anion Hydrogen Bonding von Shi, Genggongwo, Gadhe, Changdev G, Park, Sung-Woo, Kim, Kwang S, Kang, Jongmin, Seema, Humaira, Singh, N. Jiten, Cho, Seung Joo

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A novel tropomyosin-related kinase A inhibitor, KK5101 to treat pancreatic cancer von Fang, Zhenghuan, Han, Boreum, Jung, Kyung Hee, Lee, Ju-Hyeon, El-Damasy, Ashraf Kareem, Gadhe, Changdev G., Kim, Soo Jung, Yan, Hong Hua, Park, Jung Hee, Lee, Ji Eun, Kang, Yeo Wool, Pae, Ae Nim, Keum, Gyochang, Hong, Soon-Sun

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PyrPeg, a Blood-Brain-Barrier-Penetrating Two-Photon Imaging Probe, Selectively Detects Neuritic Plaques, Not Tau Aggregates von Choi, Ji-Woo, Ju, Yeon Ha, Choi, Yunsook, Hyeon, Seung Jae, Gadhe, Changdev G., Park, Jong-Hyun, Kim, Mun Seok, Baek, Seungyeop, Kim, YoungSoo, Park, Ki Duk, Pae, Ae Nim, Ryu, Hoon, Lee, C. Justin, Cho, Bong Rae

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Development of Oxadiazole-Based ODZ10117 as a Small-Molecule Inhibitor of STAT3 for Targeted Cancer Therapy von Kim, Byung-Hak, Lee, Haeri, Song, Yeonghun, Park, Joon-Suk, Gadhe, Changdev G, Choi, Jiwon, Lee, Chung-Gi, Pae, Ae Nim, Kim, Sanghee, Ye, Sang-Kyu

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In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study von Balupuri, Anand, Gadhe, Changdev G., Balasubramanian, Pavithra K., Kothandan, Gugan, Cho, Seung Joo

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Binding Site Analysis of CCR2 Through In Silico Methodologies: Docking, CoMFA, and CoMSIA von Kothandan, Gugan, Gadhe, Changdev G., Madhavan, Thirumurthy, Cho, Seung J.

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The nociceptin receptor (NOPR) and its interaction with clinically important agonist molecules: a membrane molecular dynamics simulation study von Kothandan, Gugan, Gadhe, Changdev G, Balupuri, Anand, Ganapathy, Jagadeesan, Cho, Seung Joo

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