Structure-and ligand-based drug design: Concepts, approaches, and challenges

V Sharma, S Wakode, H Kumar - Chemoinformatics and bioinformatics in …, 2021 - Elsevier
It takes more than 10 years to bring a drug to the market and costs an average cost of US
$2.6 billion. Computer-aided drug design (CADD) saves up to 30% of the time and money of …

γδ T Cells: A Game Changer in the Future of Hepatocellular Carcinoma Immunotherapy

SP Papadakos, K Arvanitakis, IE Stergiou… - International journal of …, 2024 - mdpi.com
Hepatocellular carcinoma (HCC) remains a global health challenge with limited treatment
options and a poor prognosis for advanced-stage patients. Recent advancements in cancer …

Stimuli-responsive, dual-function prodrug encapsulated in hyaluronic acid micelles to overcome doxorubicin resistance

L Qiu, J Xu, KS Ahmed, M Zhu, Y Zhang, M Long… - Acta Biomaterialia, 2022 - Elsevier
Multidrug resistance (MDR) is the main challenge faced by cancer chemotherapy. Drug-
conjugate offers a promising strategy for breast cancer therapy. In this regard, we developed …

Immunoinformatics-based multi-epitope vaccine design for the re-emerging monkeypox virus

M Farzan, M Farzan, Y Mirzaei, S Aiman… - International …, 2023 - Elsevier
Abstract Background On May 7, 2022, WHO reported a new monkeypox case. By May 2023
over 80,000 cases had been reported worldwide outside previously endemic nations.(This …

Silencing of long non-coding RNA HCP5 inhibits proliferation, invasion, migration, and promotes apoptosis via regulation of miR-299-3p/SMAD5 axis in gastric cancer …

D Yin, X Lu - Bioengineered, 2021 - Taylor & Francis
Gastric cancer (GC) is a common malignant gastrointestinal tumor with high mortality.
Previous study has reported that the overexpression of lncRNA HCP5 was observed in …

Searching for natural Aurora a kinase inhibitors from peppers using molecular docking and molecular dynamics

P Siudem, Ł Szeleszczuk, K Paradowska - Pharmaceuticals, 2023 - mdpi.com
Natural products are the precursors of many medicinal substances. Peppers (Piper,
Capsicum, Pimienta) are a rich source of compounds with potential multidirectional …

Exploring the binding interaction of Raf kinase inhibitory protein with the N-terminal of C-Raf through molecular docking and molecular dynamics simulation

S Parate, S Rampogu, G Lee, JC Hong… - Frontiers in Molecular …, 2021 - frontiersin.org
Protein-protein interactions are indispensable physiological processes regulating several
biological functions. Despite the availability of structural information on protein-protein …

In silico investigation of nonsynonymous single nucleotide polymorphisms in BCL2 apoptosis regulator gene to design novel protein‐based drugs against cancer

MM Fareed, K Dutta, T Dandekar… - Journal of Cellular …, 2022 - Wiley Online Library
BCL2 apoptosis regulator gene encodes Bcl‐2 pro‐survival protein, which plays an
important role to evade apoptosis in various cancers. Moreover, single nucleotide …

Methionine enkephalin inhibited cervical carcinoma via apoptosis promotion and reduction of myeloid derived suppressor cell infiltrated in tumor

N Qu, R Wang, Y Meng, N Liu, J Zhai, F Shan - International …, 2022 - Elsevier
Immunotherapy for cervical carcinoma is becoming increasingly important recently. In these
studies methionine enkephalin (menk) is shown to inhibit cervical tumor cell proliferation in …

A new Pd (II) complex containing acetophenone oxime and 1, 3-Bis (diphenylphosphino) propane ligands; crystal structure, catalytic activity, molecular docking and in …

S Samiee, A Shiralinia, E Hoveizi, RW Gable - Inorganica Chimica Acta, 2022 - Elsevier
A new palladium (II) complex of the type [Pd {C, NC 6 H 4 {C (Me)= NOH}-2}(dppp)] ClO 4 (2)
has been prepared by the reaction of the cyclopalladated oxime complex [Pd {C, NC 6 H 4 …