Results 261 to 270 of about 256,731 (319)

Vanillin-tethered quinazolin-2,4-dione analogues through five- and/or six-membered nitrogen-containing heterocycles as antibacterial agents: synthesis, biological evaluation and molecular docking study. [PDF]

RSC Adv
Abdelmonsef AH, Elnaby SM, Mosallam AM, Rashdan HRM, Alsoghier HM, Raslan MA.   +5 more
europepmc   +1 more source

Allosteric Inhibition of Polycomb Repressive Complex 2 by an EZH2‐Selective Small Molecule Inhibitor

Advanced Science, EarlyView.
The study characterizes C36, a highly selective EZH2/PRC2 inhibitor that acts via a novel allosteric mechanism. Unlike previous inhibitors, C36 inhibits EZH2/PRC2 by disrupting the allosteric communication between EZH2 and EED in a SAM‐noncompetitive manner.
Ting Cao, Dongdong Liu, Haishan Gao, Chenyang Qin, Wen Zhang, Ziyun Lu, Dongxia Tan, Yuxiu Qu, Yusong Liu, Zhiran Zou, Hongtao Yu, Wei Qi   +11 more
wiley   +1 more source

DFT and Molecular Docking Study of HA-Conjugated SWCNTs for CD44-Targeted Delivery of Platinum-Based Chemotherapeutics. [PDF]

Pharmaceuticals (Basel)
Khan MU, Jabeen I, Althagafi A, Farooq MU, Harb M, Arkook B.   +5 more
europepmc   +1 more source

The Effects of Polyphenols on Texture and Flavor of Egg Yolk: A Molecular Docking Study. [PDF]

Foods
Tang T, Zhang R, Chang C, Li J, Gu L, Yang Y, Su Y.   +6 more
europepmc   +1 more source

Water-Soluble NNN-Type Pincer Ligand and Its Platinum, Copper, and Cobalt Complexes: Synthesis, Characterization, Biological Activity, and Computational Docking Study. [PDF]

ACS Omega
Özçeşmeci M, Katırcı R, Yalçın MS, Özdemir S.   +3 more
europepmc   +1 more source

Design and synthesis of novel pyridopyrimidine moieties linked to coumarin ring of potentially active cytotoxic agents and their docking study. [PDF]

Sci Rep
Youssef NAE, Selim YA, Shaheen LA, Fadda AA, Gaffer HE, El-Hadidy SA.   +5 more
europepmc   +1 more source

Solvent polarity effects on the FTIR spectrum, and thermodynamic and electronic properties of metronidazole and its binding with antibacterial drugs: a DFT and molecular docking study. [PDF]

RSC Adv
Golj DR, Dinka MO, Sherefedin U, Belay A, Gelanu D, Megersa GD.   +5 more
europepmc   +1 more source

Computable properties of selected monomeric acylphloroglucinols with anticancer and/or antimalarial activities and first-approximation docking study. [PDF]

J Mol Model
Tshilande N, Mammino L.
europepmc   +1 more source

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Docking Studies on DNA Intercalators

Journal of Chemical Information and Modeling, 2013
DNA is an important target for the treatment of multiple pathologies, most notably cancer. In particular, DNA intercalators have often been used as anticancer drugs. However, despite their relevance to drug discovery, only a few systematic computational studies were performed on DNA-intercalator complexes.
Yocheved Gilad, Hanoch Senderowitz
openaire   +2 more sources

Docking studies for melatonin receptors

Expert Opinion on Drug Discovery, 2017
Melatonin is a neurohormone that controls many relevant physiological processes beyond the control of circadian rhythms. Melatonin's actions are carried out by two main types of melatonin receptors; MT1 and MT2. These receptors are important, and not just because of the biological actions of its natural agonist; but also, because melatonin analogues ...
Awad Alkozia, Hanan, Sánchez Montero, José, Doadrio Villarejo, Antonio Luis, Pintor Just, Jesús Jerónimo   +3 more
openaire   +3 more sources