Koker, M Y Sarper, N Albayrak, C Zulfikar, B Zengin, E Saraymen, B Albayrak, D Koc, B Avcilar, H Karakükcü, M
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Published in
Platelets
Glanzmann thrombasthenia (GT) is a rare autosomal recessive bleeding disorder characterized by impaired platelet aggregation due to defects in integrin αIIbβ3, a fibrinogen receptor. Platelet phenotypes and allelic variations in 28 Turkish GT patients are reported. Platelets αIIbβ3 expression was evaluated by flow cytometry. Sequence analyzes of IT...
Wilson, Clive G; Aarons, Leon; Augustijns, Patrick; 4215; Brouwers, Joachim; Darwich, Adam S; De Waal, Tom; 110547; Garbacz, Grzegorz; Hansmann, Simone; Hoc, Dagmara; Ivanova, Anela;
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This collection of contributions from the European Network on Understanding Gastrointestinal Absorption-related Processes (UNGAP) community assembly aims to provide information on some of the current and newer methods employed to study the behaviour of medicines. It is the product of interactions in the immediate pre-Covid period when UNGAP members...
Rudrapal, Mithun Celik, Ismail Chinnam, Sampath Azam Ansari, Mohammad Khan, Johra Alghamdi, Saad Almehmadi, Mazen Zothantluanga, James H Khairnar, Shubham J
Published in
Saudi journal of biological sciences
The inhibition of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro) and papain-like protease (PLpro) prevents viral multiplications; these viral enzymes have been recognized as one of the most favorable targets for drug discovery against SARS-CoV-2. In the present study, we screened 225 phytocompounds present in 28 d...
Wang, Bowen Yan, Xuefei Yan, Hejin Cai, Yongqing
Published in
Nanotechnology
The thermal conductivities of pristine and defective single-layer tungsten diselenide (WSe2) are investigated by using equilibrium molecular dynamics method. The thermal conductivity of WSe2 increases dramatically with size below a characteristic of ~5 nm and levels off for broader samples and reaches a constant value of ~2 W/mK. By introducing ato...
Zhang, Na-Na Bai, Xue Zhao, Shan-Shan Zheng, Xue-Mei Tang, Lei Yang, Sheng-Gang Zhang, Ji-Quan
Published in
Journal of molecular modeling
Phosphatidylinositol 3-kinase (PI3K) is a key regulatory kinase in the PI3K/AKT/mTOR signaling pathway, which is involved in the regulation of cell proliferation, differentiation, apoptosis, and angiogenesis. Class IA PI3K isoforms γ and δ share a highly homologous ATP binding site and are distinguished by only a few residues around the binding sit...
Prabitha, P Shanmugarajan, Dhivya Kumar, T Durai Ananda Kumar, B R Prashantha
Published in
Journal of biomolecular structure & dynamics
Despite intensive research on clinical and molecular factors, the development of antidiabetic drugs in the last few decades is decelerating and as a result, the number of drugs approved by the US FDA is reduced. Hence, there is a persistent need for the innovative development of novel anti-diabetic drugs. Recent studies have provided ample proof th...
Rudrapal, Mithun Gogoi, Neelutpal Chetia, Dipak Khan, Johra Banwas, Saeed Alshehri, Bader Alaidarous, Mohammed A Laddha, Umesh D Khairnar, Shubham J Walode, Sanjay G
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Published in
Saudi journal of biological sciences
In view of the potential of traditional plant-based remedies (or phytomedicines) in the management of COVID-19, the present investigation was aimed at finding novel anti-SARS-CoV-2 molecules by in silico screening of bioactive phytochemicals (database) using computational methods and drug repurposing approach. A total of 160 compounds belonging to ...
Claverie, J. Wang, Q. Kamali-Bernard, Siham Bernard, Fabrice
Over the last decade, atomistic simulations were increasingly employed to describe cementitious materials properties. As a complement to experimental measurements, they have improved our understanding of anhydrous and hydrated phases. This article reviews most of the principal investigations based on density functional theory, molecular dynamics, a...
Cecchini, Marco Changeux, Jean-Pierre
We propose an extension and further development of the Monod-Wyman-Changeux model for allosteric transi- tions of regulatory proteins to brain communications and specifically to neurotransmitters receptors, with the nicotinic acetylcholine receptor (nAChR) as a model of ligand-gated ion channels. The present development of- fers an expression of th...
Shah, Hetal Damani Saranath, Dhananjaya Murthy, Vinuthaa
Published in
Journal of biomolecular structure & dynamics
The p53 gene is mutated in greater than 50% of several human cancers including bladder urothelial carcinoma, lung adenocarcinoma, colorectal carcinoma, and oral cancer. Mutations in the p53 gene occur predominantly in the DNA-binding domain causing loss of function and accumulation of dysfunctional p53 protein in tumors by hetero-oligomerization wi...