Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations von Tran, Que-Huong, Nguyen, Quoc-Thai, Vo, Nguyen-Quynh-Huong, Mai, Tan Thanh, Tran, Thi-Thuy-Nga, Tran, Thanh-Dao, Le, Minh-Tri, Trinh, Dieu-Thuong Thi, Thai, Khac-Minh

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A network pharmacology approach to explore active compounds and pharmacological mechanisms of a patented Chinese herbal medicine in the treatment of endometriosis von Wu, Yan, Zhu, Yuhang, Xie, Ningning, Wang, Hui, Wang, Fangfang, Zhou, Jue, Qu, Fan

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Integrated study of Quercetin as a potent SARS-CoV-2 RdRp inhibitor: Binding interactions, MD simulations, and In vitro assays von Metwaly, Ahmed M, El-Fakharany, Esmail M, Alsfouk, Aisha A, Ibrahim, Ibrahim M, Elkaeed, Eslam B, Eissa, Ibrahim H

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Post-transcriptional control drives Aurora kinase A expression in human cancers von Cacioppo, Roberta, Rad, Deniz, Pagani, Giulia, Gandellini, Paolo, Lindon, Catherine

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Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2 von Koulgi, Shruti, Jani, Vinod, Uppuladinne V N, Mallikarjunachari, Sonavane, Uddhavesh, Joshi, Rajendra

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Identification of hub genes associated with COVID-19 and idiopathic pulmonary fibrosis by integrated bioinformatics analysis von Chen, Qianyi, Xia, Shilin, Sui, Hua, Shi, Xueying, Huang, Bingqian, Wang, Tingxin

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Exploring carbon catenoids and their applications for encapsulation of carbon nanostructures von Sripaturad, Panyada, Thamwattana, Ngamta, Stevens, Kyle, Baowan, Duangkamon

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Identification of pivotal genes and pathways in Chorea-acanthocytosis using comprehensive bioinformatic analysis von Sharma, Ravinder, Yadav, Kiran, Monga, Leeza, Gupta, Vikas, Yadav, Vikas

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Unveiling the potential of phytochemicals to inhibit nuclear receptor binding SET domain protein 2 for cancer: Pharmacophore screening, molecular docking, ADME properties, and mole... von Mohamed, Gamal A, Abdallah, Hossam M, Sindi, Ikhlas A, Ibrahim, Sabrin R M, Alzain, Abdulrahim A

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Structure based screening and molecular docking with dynamic simulation of natural secondary metabolites to target RNA-dependent RNA polymerase of five different retroviruses von Azeem, Muhammad, Mustafa, Ghulam, Ahmed, Sibtain, Mushtaq, Amna, Arshad, Muhammad, Usama, Muhammad, Farooq, Muhammad

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In-silico discovery of common molecular signatures for which SARS-CoV-2 infections and lung diseases stimulate each other, and drug repurposing von Alamin, Muhammad Habibulla, Rahaman, Md Matiur, Ferdousi, Farzana, Sarker, Arnob, Ali, Md Ahad, Hossen, Md Bayazid, Sarker, Bandhan, Kumar, Nishith, Mollah, Md Nurul Haque

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Repositioning of anti-dengue compounds against SARS-CoV-2 as viral polyprotein processing inhibitor von Bajrai, Leena H, Faizo, Arwa A, Alkhaldy, Areej A, Dwivedi, Vivek Dhar, Azhar, Esam I

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Polypharmacology guided drug repositioning approach for SARS-CoV2 von Jamir, Esther, Sarma, Himakshi, Priyadarsinee, Lipsa, Kiewhuo, Kikrusenuo, Nagamani, Selvaraman, Sastry, G Narahari

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Identification of host genomic biomarkers from multiple transcriptomics datasets for diagnosis and therapies of SARS-CoV-2 infections von Sarker, Bandhan, Rahaman, Md Matiur, Islam, Md Ariful, Alamin, Muhammad Habibulla, Husain, Md Maidul, Ferdousi, Farzana, Ahsan, Md Asif, Mollah, Md Nurul Haque

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Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening von Sanachai, Kamonpan, Somboon, Tuanjai, Wilasluck, Patcharin, Deetanya, Peerapon, Wolschann, Peter, Langer, Thierry, Lee, Vannajan Sanghiran, Wangkanont, Kittikhun, Rungrotmongkol, Thanyada, Hannongbua, Supot

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Mitoxantrone and abacavir: An ALK protein-targeted in silico proposal for the treatment of non-small cell lung cancer von Faya Castillo, Juan Enrique, Zapata Dongo, Richard Junior, Wong Chero, Paolo Alberto, Infante Varillas, Stefany Fiorella

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Development and validation of a quantitative, non-invasive, highly sensitive and specific, electrochemical assay for anti-SARS-CoV-2 IgG antibodies in saliva von Chiang, Samantha H, Tu, Michael, Cheng, Jordan, Wei, Fang, Li, Feng, Chia, David, Garner, Omai, Chandrasekaran, Sukantha, Bender, Richard, Strom, Charles M, Wong, David T W

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A short plus long-amplicon based sequencing approach improves genomic coverage and variant detection in the SARS-CoV-2 genome von Arana, Carlos, Liang, Chaoying, Brock, Matthew, Zhang, Bo, Zhou, Jinchun, Chen, Li, Cantarel, Brandi, SoRelle, Jeffrey, Hooper, Lora V, Raj, Prithvi

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Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies von Alharthy, Rima D, Fatima, Ghulam, Yousaf, Numan, Iqbal, Muhammad Shaheen, Sattar, Sadia, Alanzi, Abdullah R, Ali, Ijaz, Muddassar, Muhammad

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Genomic architecture and evolutionary relationship of BA.2.75: A Centaurus subvariant of Omicron SARS-CoV-2 von Basheer, Atia, Zahoor, Imran, Yaqub, Tahir

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