Abstract The construction of three-dimensional models protein macromolecules is a serious challenge due to the possible ambiguity solving inverse problem reconstructing structure from one-dimensional small-angle scattering profile. target function this task can have several local minima, which leads dependence solution on initial values model parameters and method finding global minimum. creati...

Abstract Molecular Dynamics (MD) is a widely used drug design tool capable of rapidly screening the binding capacity many candidate inhibitors in cost-effective manner. This approach has been leveraged to search for molecules that can bind angiotensin converting enzyme 2 (ACE2) and prevent SARS-CoV-2 viral entry host cells. However, ACE2 difficult model due an embedded zinc ion (Zn), which intr...

g -aminobutiric acid (gaba), the major inhibitory neurotransmitter in the central nervous system has two major receptor subtypes (gabaa and gabab). gabab receptors are activated by the antispastic and muscle relaxant agent, baclofen, which is a lipophilic derivative of gaba. since 1962 several strategies have been reported for the synthesis of baclofen.in this study an approach has been made to...

introduction: neurohormones like testosterone and estradiol have an important role in learning and memory. the hippocampus is essentially involved in learning and memory, and is known to be a target for estradiol actions. estrogen receptors (ers) are highly expressed in ca1 of rat hippocampus, and mediate the effects of estrogen on learning and memory. estradiol receptor belong to a family of t...

background and objective: determination of hormone receptor status in the management of breast cancer is well-established. the aim of this study was to evaluate the frequency of androgen receptor (ar) expression in invasive ductal carcinoma of breast. materials and methods: for this purpose, 55 cases of invasive ductal breast carcinoma were examined using a monoclonal antibody against ar on for...