Withania somnifera (L.) Dunal: Phytochemistry, structure-activity relationship, and anticancer potential
Background Ayurveda is a highly recognized, well-documented, and well-accepted
traditional medicine system. This system utilizes many natural products in various forms for …
traditional medicine system. This system utilizes many natural products in various forms for …
[HTML][HTML] Withania somnifera: Progress towards a Pharmaceutical Agent for Immunomodulation and Cancer Therapeutics
VK Kashyap, G Peasah-Darkwah, A Dhasmana… - Pharmaceutics, 2022 - mdpi.com
Chemotherapy is one of the prime treatment options for cancer. However, the key issues
with traditional chemotherapy are recurrence of cancer, development of resistance to …
with traditional chemotherapy are recurrence of cancer, development of resistance to …
[HTML][HTML] Molecular insights into the interaction of RONS and Thieno [3, 2-c] pyran analogs with SIRT6/COX-2: A molecular dynamics study
SIRT6 and COX-2 are oncogenes target that promote the expression of proinflammatory and
pro-survival proteins through a signaling pathway, which leads to increased survival and …
pro-survival proteins through a signaling pathway, which leads to increased survival and …
[HTML][HTML] Identification of phytoconstituents as potent inhibitors of casein kinase-1 alpha using virtual screening and molecular dynamics simulations
Casein kinase-1 alpha (CK1α) is a multifunctional protein kinase that belongs to the
serine/threonine kinases of the CK1α family. It is involved in various signaling pathways …
serine/threonine kinases of the CK1α family. It is involved in various signaling pathways …
[HTML][HTML] An updated review on developing small molecule kinase inhibitors using computer-aided drug design approaches
L Li, S Liu, B Wang, F Liu, S Xu, P Li… - International Journal of …, 2023 - mdpi.com
Small molecule kinase inhibitors (SMKIs) are of heightened interest in the field of drug
research and development. There are 79 (as of July 2023) small molecule kinase inhibitors …
research and development. There are 79 (as of July 2023) small molecule kinase inhibitors …
[HTML][HTML] Bioactive phytoconstituents as potent inhibitors of casein kinase-2: Dual implications in cancer and COVID-19 therapeutics
Casein kinase 2 (CK2) is a conserved serine/threonine-protein kinase involved in
hematopoietic cell survival, cell cycle control, DNA repair, and other cellular processes. It …
hematopoietic cell survival, cell cycle control, DNA repair, and other cellular processes. It …
[HTML][HTML] Computer-aided drug design in epigenetics
Epigenetic dysfunction has been widely implicated in several diseases especially cancers
thus highlights the therapeutic potential for chemical interventions in this field. With rapid …
thus highlights the therapeutic potential for chemical interventions in this field. With rapid …
[HTML][HTML] Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches
AP Das, SM Agarwal - Molecular Diversity, 2024 - Springer
Phytocompounds are a well-established source of drug discovery due to their unique
chemical and functional diversities. In the area of cancer therapeutics, several …
chemical and functional diversities. In the area of cancer therapeutics, several …
Design, synthesis, molecular simulation, and biological activities of novel quinazolinone-pyrimidine hybrid derivatives as dipeptidyl peptidase-4 inhibitors and …
Two novel series of quinazolinone–pyrimidine (series a: 9a–9i) and benzyl-pyrimidine
hybrids (series b: 12a–12c) were designed, synthesized and characterized by spectroscopic …
hybrids (series b: 12a–12c) were designed, synthesized and characterized by spectroscopic …
Synthesis of michael adducts as key building blocks for potential analgesic drugs: in vitro, in vivo and in silico explorations
Background Organocatalytic asymmetric Michael addition is a strong approach for CC bond
formation. The objective of the study is to design molecules by exploiting the efficiency of …
formation. The objective of the study is to design molecules by exploiting the efficiency of …