Search Results - "Chemical biology & drug design"

Characteristics of flavonoids as potent MERS‐CoV 3C‐like protease inhibitors by Jo, Seri, Kim, Hyojin, Kim, Suwon, Shin, Dong Hae, Kim, Mi‐Sun

“…Middle East respiratory syndrome‐coronavirus (MERS‐CoV) is a zoonotic virus transmitted between animals and human beings. It causes MERS with high mortality…”
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Alpha‐amylase as molecular target for treatment of diabetes mellitus: A comprehensive review by Kaur, Navjot, Kumar, Vanktesh, Nayak, Surendra Kumar, Wadhwa, Pankaj, Kaur, Paranjit, Sahu, Sanjeev Kumar

“…The alpha (α)‐amylase is a calcium metalloenzyme that aids digestion by breaking down polysaccharide molecules into smaller ones such as glucose and maltose…”
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Homology modeling in drug discovery: Overview, current applications, and future perspectives by Muhammed, Muhammed Tilahun, Aki‐Yalcin, Esin

“…Homology modeling is one of the computational structure prediction methods that are used to determine protein 3D structure from its amino acid sequence. It is…”
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Antioxidant activities and mechanisms of polysaccharides by Mu, Si, Yang, Wenjian, Huang, Gangliang

“…Polysaccharide, as one of the effective components of traditional Chinese medicine, has the activities of anti‐oxidation, anti‐virus, improving immunity and so…”
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Extraction, separation, modification, structural characterization, and antioxidant activity of plant polysaccharides by Huang, Hualiang, Huang, Gangliang

“…Polysaccharide is an important macromolecule with biological activity, and its biological activity is closely related to its structure. The extraction methods…”
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The Future of Peptide-based Drugs by Craik, David J., Fairlie, David P., Liras, Spiros, Price, David

“…The suite of currently used drugs can be divided into two categories – traditional ‘small molecule’ drugs with typical molecular weights of <500 Da but with…”
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The recent challenges of highly contagious COVID‐19, causing respiratory infections: Symptoms, diagnosis, transmission, possible vaccines, animal models, and immunotherapy by Mohapatra, Ranjan K., Pintilie, Lucia, Kandi, Venkataramana, Sarangi, Ashish K., Das, Debadutta, Sahu, Raghaba, Perekhoda, Lina

“…COVID‐19 is highly contagious pathogenic viral infection initiated from Wuhan seafood wholesale market of China on December 2019 and spread rapidly around the…”
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Caspase‐3: A primary target for natural and synthetic compounds for cancer therapy by Yadav, Poonam, Yadav, Ramakant, Jain, Shweta, Vaidya, Ankur

“…Caspases, a group of protease enzymes (cysteine proteases), exist as inactive zymogens in the cells and execute apoptosis (programmed cell death). Caspase‐3,…”
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1,3,4‐oxadiazole and its derivatives: A review on recent progress in anticancer activities by Vaidya, Ankur, Pathak, Devender, Shah, Kamal

“…The 1,3,4‐oxadiazole nucleus is a biologically imperative scaffold possesses numerous biological activities. The broad and potent activity of 1,3,4‐oxadiazole…”
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Comprehensive Review in Current Developments of Benzimidazole-Based Medicinal Chemistry by Keri, Rangappa S., Hiremathad, Asha, Budagumpi, Srinivasa, Nagaraja, Bhari Mallanna

“…The properties of benzimidazole and its derivatives have been studied over more than one hundred years. Benzimidazole derivatives are useful…”
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Computational methods and tools to predict cytochrome P450 metabolism for drug discovery by Tyzack, Jonathan D., Kirchmair, Johannes

“…In this review, we present important, recent developments in the computational prediction of cytochrome P450 (CYP) metabolism in the context of drug discovery…”
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tRF‐Leu‐CAG promotes cell proliferation and cell cycle in non‐small cell lung cancer by Shao, Yang, Sun, Qiangling, Liu, Xiaomin, Wang, Ping, Wu, Renqi, Ma, Zhongliang

“…tRNA‐derived RNA fragments (tRFs), non‐coding single‐stranded RNAs with 14–35 nt in length, were found to play important roles in gene regulation, even in…”
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Natural compounds with xanthine oxidase inhibitory activity: A review by Mehmood, Arshad, Ishaq, Muhammad, Zhao, Lei, Safdar, Bushra, Rehman, Ashfaq‐ur, Munir, Masooma, Raza, Ali, Nadeem, Muhammad, Iqbal, Waheed, Wang, Chengtao

“…Hyperuricemia (HUA), a disease due to an elevation of body uric acid level and responsible for various diseases such as gout, cardiovascular disorders, and…”
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Anti-Inflammatory Property of n-Hexadecanoic Acid: Structural Evidence and Kinetic Assessment by Aparna, Vasudevan, Dileep, Kalarickal V., Mandal, Pradeep K., Karthe, Ponnuraj, Sadasivan, Chittalakkottu, Haridas, Madathilkovilakathu

“…Ester bond hydrolysis of membrane phospholipids by Phospholipase A2 and consequent release of fatty acids are the initiating steps of inflammation. It is…”
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Synthesis, molecular modeling, and biological evaluation of 4‐[5‐aryl‐3‐(thiophen‐2‐yl)‐4,5‐dihydro‐1H‐pyrazol‐1‐yl] benzenesulfonamides toward acetylcholinesterase, carbonic anhydrase I and II enzymes by Yamali, Cem, Gul, Halise Inci, Ece, Abdulilah, Taslimi, Parham, Gulcin, Ilhami

“…In this study, 4‐[5‐aryl‐3‐(thiophen‐2‐yl)‐4,5‐dihydro‐1H‐pyrazol‐1‐yl] benzenesulfonamides were synthesized, and inhibition effects on AChE, hCA I, and hCA II…”
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Antibiotic Adjuvants: Diverse Strategies for Controlling Drug-Resistant Pathogens by Gill, Erin E., Franco, Octavio L., Hancock, Robert. E. W.

“…The growing number of bacterial pathogens that are resistant to numerous antibiotics is a cause for concern around the globe. There have been no new…”
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Chromones: Privileged scaffold in anticancer drug discovery by Patil, Vaishali M., Masand, Neeraj, Verma, Saroj, Masand, Vijay

“…In the design and discovery of anticancer drugs, various natural heterocyclic scaffolds have attracted considerable interest as privileged structures. For…”
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Application of molecular dynamics simulation in biomedicine by Wu, Xiaodong, Xu, Li‐Yan, Li, En‐Min, Dong, Geng

“…Molecular dynamics (MD) simulation has been widely used in the field of biomedicine to study the conformational transition of proteins caused by mutation or…”
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Ginsenoside Rg1 improves Alzheimer's disease by regulating oxidative stress, apoptosis, and neuroinflammation through Wnt/GSK‐3β/β‐catenin signaling pathway by Yang, Yi, Wang, Limei, Zhang, Caijun, Guo, Yuqian, Li, Jintao, Wu, Chao, Jiao, Jianlin, Zheng, Hong

“…Alzheimer's disease (AD) is a chronic neurodegenerative disorder that can cause cognitive impairment. Ginsenoside Rg1 (Rg1) has a significant neuroprotective…”
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Two- and Three-dimensional Rings in Drugs by Aldeghi, Matteo, Malhotra, Shipra, Selwood, David L., Chan, Ah Wing Edith

“…Using small, flat aromatic rings as components of fragments or molecules is a common practice in fragment‐based drug discovery and lead optimization. With an…”
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