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作为潜在的腺脱氨酶抑制剂的化合物:与MM-GBSA计算相结合的分子对接和动态模拟

Abdullahi Ibrahim Uba1, Nicholas Joseph Paradis2, Chun Wu3

  • 1Department of Molecular Biology and Genetics, Istanbul AREL University, 34537, Istanbul, Turkey.

Amino acids
|July 30, 2023
PubMed
概括

像高氧化物和酸这样的化合物显示出作为自然抑制剂的潜力腺脱氨酶 (ADA),一个涉及心血管疾病和癌症的酶. 这些化合物有效地与ADA结合,提供新的治疗可能性.

关键词:
ADA 抑制剂是一种抑制剂.氨酸脱氨酶 (ADA) 是一种在MM-GBSA中使用.分子对接是分子对接.模拟分子动力学模拟类化合物 是一种类化合物.

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